methyl 4-(2-oxidanylidene-1-phenyl-butyl)-1-phenethyl-piperidine-4-carboxylate

Systemtic Name: methyl 4-(2-oxidanylidene-1-phenyl-butyl)-1-phenethyl-piperidine-4-carboxylate Openeye Name: methyl 4-(2-oxo-1-phenyl-butyl)-1-phenethyl-piperidine-4-carboxylate CAS Name: 4-(2-oxo-1-phenylbutyl)-1-phenethyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-oxo-1-phenylbutyl)-1-phenethylpiperidine-4-carboxylate Traditional Name: 4-(2-keto-1-phenyl-butyl)-1-phenethyl-isonipecotic acid methyl ester Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC(=O)C(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H31NO3/c1-3-22(27)23(21-12-8-5-9-13-21)25(24(28)29-2)15-18-26(19-16-25)17-14-20-10-6-4-7-11-20/h4-13,23H,3,14-19H2,1-2H3