bmse000628 cis-fenpropimorph at BMRB

cis-fenpropimorph

Fenpropimorph; 4-[3-(4-tert-Butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine; 4-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine; Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, cis-

Molecular Formula: C20 H33 N O
Natural Isotopic Abundance Mass: 303.48212
Mono-Isotopic Molecular Masses: C12N14: 303.2562146866; C13N14: 323.3233114426; C12N15: 304.2532495798; C13N15: 324.3203463358

cis-fenpropimorph

InCHi String:
InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3

canonical and isomeric SMILES:
CC1CN(CC(O1)C)CC(C)CC2=CC=C(C=C2)C(C)(C)C

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
4-[3-(4-tert-butylphenyl)-2-methyl-propyl]-2,6-dimethyl-morpholine

PubChem Substance (SID):   814159   10403096   24862828
PubChem Compound (CID):   91695
KEGG: Compound ID   n/a
CAS Registry IDs:   67306-03-0
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 36772_RIEDEL   NIAID 187783   NIST 2369814997   MMCD cq_10916   MDL MFCD00144306

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.