methyl 3-[(3-cyanophenyl)carbamoylamino]-2-[[2-(phenylmethyl)piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[(3-cyanophenyl)carbamoylamino]-2-[[2-(phenylmethyl)piperidin-1-yl]methyl]benzoate Openeye Name: methyl 2-[(2-benzyl-1-piperidyl)methyl]-3-[(3-cyanophenyl)carbamoylamino]benzoate CAS Name: 3-[[(3-cyanoanilino)-oxomethyl]amino]-2-[[2-(phenylmethyl)-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(2-benzylpiperidin-1-yl)methyl]-3-[(3-cyanophenyl)carbamoylamino]benzoate Traditional Name: 2-[(2-benzylpiperidino)methyl]-3-[(3-cyanophenyl)carbamoylamino]benzoic acid methyl ester Formula: C29H30N4O3 MolecularWeight: 482.5735

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)NC(=O)NC2=CC=CC(=C2)C#N)CN3CCCCC3CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)NC(=O)NC2=CC=CC(=C2)C#N)CN3CCCCC3CC4=CC=CC=C4

InChI

InChI=1S/C29H30N4O3/c1-36-28(34)25-14-8-15-27(32-29(35)31-23-12-7-11-22(17-23)19-30)26(25)20-33-16-6-5-13-24(33)18-21-9-3-2-4-10-21/h2-4,7-12,14-15,17,24H,5-6,13,16,18,20H2,1H3,(H2,31,32,35)