phenyl 3-[2-(dimethylaminomethyl)cyclohexen-1-yl]-2-[4-(2-methylpropyl)phenyl]propanoate

Systemtic Name: phenyl 3-[2-(dimethylaminomethyl)cyclohexen-1-yl]-2-[4-(2-methylpropyl)phenyl]propanoate Openeye Name: phenyl 3-[2-(dimethylaminomethyl)cyclohexen-1-yl]-2-(4-isobutylphenyl)propanoate CAS Name: 3-[2-(dimethylaminomethyl)-1-cyclohexenyl]-2-[4-(2-methylpropyl)phenyl]propanoic acid phenyl ester IUPAC Name: phenyl 3-[2-(dimethylaminomethyl)cyclohexen-1-yl]-2-[4-(2-methylpropyl)phenyl]propanoate Traditional Name: 3-[2-(dimethylaminomethyl)cyclohexen-1-yl]-2-(4-isobutylphenyl)propionic acid phenyl ester Formula: C28H37NO2 MolecularWeight: 419.59888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(CC2=C(CCCC2)CN(C)C)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(CC2=C(CCCC2)CN(C)C)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C28H37NO2/c1-21(2)18-22-14-16-23(17-15-22)27(28(30)31-26-12-6-5-7-13-26)19-24-10-8-9-11-25(24)20-29(3)4/h5-7,12-17,21,27H,8-11,18-20H2,1-4H3