methyl 3-[(3-cyanophenyl)carbamoylamino]-4-[[4-(phenylmethyl)piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[(3-cyanophenyl)carbamoylamino]-4-[[4-(phenylmethyl)piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[(4-benzyl-1-piperidyl)methyl]-3-[(3-cyanophenyl)carbamoylamino]benzoate CAS Name: 3-[[(3-cyanoanilino)-oxomethyl]amino]-4-[[4-(phenylmethyl)-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-benzylpiperidin-1-yl)methyl]-3-[(3-cyanophenyl)carbamoylamino]benzoate Traditional Name: 4-[(4-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=CC(=C(C=C1)CN2CCC(CC2)CC3=CC=CC=C3)NC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)CN2CCC(CC2)CC3=CC=CC=C3)NC(=O)NC4=CC=CC(=C4)C#N

InChI

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