methyl 4-[[4-[(3-ethanoylphenyl)carbamoyl-(pyridin-3-ylmethyl)amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(3-ethanoylphenyl)carbamoyl-(pyridin-3-ylmethyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[(3-acetylphenyl)carbamoyl-(3-pyridylmethyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[[(3-acetylanilino)-oxomethyl]-(3-pyridinylmethyl)amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(3-acetylphenyl)carbamoyl-(pyridin-3-ylmethyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[(3-acetylphenyl)carbamoyl-(3-pyridylmethyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C29H32N4O4 MolecularWeight: 500.58878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)N(CC2=CN=CC=C2)C3CCN(CC3)CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)N(CC2=CN=CC=C2)C3CCN(CC3)CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C29H32N4O4/c1-21(34)25-6-3-7-26(17-25)31-29(36)33(20-23-5-4-14-30-18-23)27-12-15-32(16-13-27)19-22-8-10-24(11-9-22)28(35)37-2/h3-11,14,17-18,27H,12-13,15-16,19-20H2,1-2H3,(H,31,36)