methyl 1-[3-(cyclohexylcarbonylamino)phenyl]carbonyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-(cyclohexylcarbonylamino)phenyl]carbonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[3-(cyclohexanecarbonylamino)benzoyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[[3-[[cyclohexyl(oxo)methyl]amino]phenyl]-oxomethyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(cyclohexanecarbonylamino)benzoyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[3-(cyclohexanecarbonylamino)benzoyl]-4-phenyl-isonipecotic acid methyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C27H32N2O4/c1-33-26(32)27(22-12-6-3-7-13-22)15-17-29(18-16-27)25(31)21-11-8-14-23(19-21)28-24(30)20-9-4-2-5-10-20/h3,6-8,11-14,19-20H,2,4-5,9-10,15-18H2,1H3,(H,28,30)