methyl 4-[[1-(4-cyanophenyl)piperidin-4-yl]carbonyl-(phenylmethyl)amino]butanoate

Systemtic Name: methyl 4-[[1-(4-cyanophenyl)piperidin-4-yl]carbonyl-(phenylmethyl)amino]butanoate Openeye Name: methyl 4-[benzyl-[1-(4-cyanophenyl)piperidine-4-carbonyl]amino]butanoate CAS Name: 4-[[[1-(4-cyanophenyl)-4-piperidinyl]-oxomethyl]-(phenylmethyl)amino]butanoic acid methyl ester IUPAC Name: methyl 4-[benzyl-[1-(4-cyanophenyl)piperidine-4-carbonyl]amino]butanoate Traditional Name: 4-[benzyl-[1-(4-cyanophenyl)isonipecotoyl]amino]butyric acid methyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN(CC1=CC=CC=C1)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)CCCN(CC1=CC=CC=C1)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H29N3O3/c1-31-24(29)8-5-15-28(19-21-6-3-2-4-7-21)25(30)22-13-16-27(17-14-22)23-11-9-20(18-26)10-12-23/h2-4,6-7,9-12,22H,5,8,13-17,19H2,1H3