phenyl 3-[2-(dimethylaminomethyl)-1-oxidanyl-cyclohexyl]-2-[4-(2-methylpropyl)phenyl]propanoate

Systemtic Name: phenyl 3-[2-(dimethylaminomethyl)-1-oxidanyl-cyclohexyl]-2-[4-(2-methylpropyl)phenyl]propanoate Openeye Name: phenyl 3-[2-(dimethylaminomethyl)-1-hydroxy-cyclohexyl]-2-(4-isobutylphenyl)propanoate CAS Name: 3-[2-(dimethylaminomethyl)-1-hydroxycyclohexyl]-2-[4-(2-methylpropyl)phenyl]propanoic acid phenyl ester IUPAC Name: phenyl 3-[2-(dimethylaminomethyl)-1-hydroxycyclohexyl]-2-[4-(2-methylpropyl)phenyl]propanoate Traditional Name: 3-[2-(dimethylaminomethyl)-1-hydroxy-cyclohexyl]-2-(4-isobutylphenyl)propionic acid phenyl ester Formula: C28H39NO3 MolecularWeight: 437.61416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(CC2(CCCCC2CN(C)C)O)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(CC2(CCCCC2CN(C)C)O)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C28H39NO3/c1-21(2)18-22-13-15-23(16-14-22)26(27(30)32-25-11-6-5-7-12-25)19-28(31)17-9-8-10-24(28)20-29(3)4/h5-7,11-16,21,24,26,31H,8-10,17-20H2,1-4H3