methyl 4-[[4-[(3-cyanophenyl)carbonyl-(pyridin-3-ylmethyl)amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(3-cyanophenyl)carbonyl-(pyridin-3-ylmethyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[(3-cyanobenzoyl)-(3-pyridylmethyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[[(3-cyanophenyl)-oxomethyl]-(3-pyridinylmethyl)amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(3-cyanobenzoyl)-(pyridin-3-ylmethyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[(3-cyanobenzoyl)-(3-pyridylmethyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)N(CC3=CN=CC=C3)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)N(CC3=CN=CC=C3)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C28H28N4O3/c1-35-28(34)24-9-7-21(8-10-24)19-31-14-11-26(12-15-31)32(20-23-5-3-13-30-18-23)27(33)25-6-2-4-22(16-25)17-29/h2-10,13,16,18,26H,11-12,14-15,19-20H2,1H3