3-cyclohexyl-5-[2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]-2-oxidanylidene-ethyl]-4-phenyl-benzoic acid

Systemtic Name: 3-cyclohexyl-5-[2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]-2-oxidanylidene-ethyl]-4-phenyl-benzoic acid Openeye Name: 3-cyclohexyl-5-[2-[methyl-[(1-methyl-3-piperidyl)methyl]amino]-2-oxo-ethyl]-4-phenyl-benzoic acid CAS Name: 3-cyclohexyl-5-[2-[methyl-[(1-methyl-3-piperidinyl)methyl]amino]-2-oxoethyl]-4-phenylbenzoic acid IUPAC Name: 3-cyclohexyl-5-[2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]-2-oxoethyl]-4-phenylbenzoic acid Traditional Name: 3-cyclohexyl-5-[2-keto-2-[methyl-[(1-methyl-3-piperidyl)methyl]amino]ethyl]-4-phenyl-benzoic acid Formula: C29H38N2O3 MolecularWeight: 462.62362

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)CN(C)C(=O)CC2=CC(=CC(=C2C3=CC=CC=C3)C4CCCCC4)C(=O)O

Isomeric SMILES

CN1CCCC(C1)CN(C)C(=O)CC2=CC(=CC(=C2C3=CC=CC=C3)C4CCCCC4)C(=O)O

InChI

InChI=1S/C29H38N2O3/c1-30-15-9-10-21(19-30)20-31(2)27(32)18-24-16-25(29(33)34)17-26(22-11-5-3-6-12-22)28(24)23-13-7-4-8-14-23/h4,7-8,13-14,16-17,21-22H,3,5-6,9-12,15,18-20H2,1-2H3,(H,33,34)