phenyl 4-[[[3-(3-cyanophenyl)-5-methoxycarbonyl-phenyl]methylamino]methyl]piperidine-1-carboxylate

Systemtic Name: phenyl 4-[[[3-(3-cyanophenyl)-5-methoxycarbonyl-phenyl]methylamino]methyl]piperidine-1-carboxylate Openeye Name: phenyl 4-[[[3-(3-cyanophenyl)-5-methoxycarbonyl-phenyl]methylamino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[3-(3-cyanophenyl)-5-methoxycarbonylphenyl]methylamino]methyl]-1-piperidinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-[[[3-(3-cyanophenyl)-5-methoxycarbonylphenyl]methylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[3-carbomethoxy-5-(3-cyanophenyl)benzyl]amino]methyl]piperidine-1-carboxylic acid phenyl ester Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC=CC(=C2)C#N)CNCC3CCN(CC3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC=CC(=C2)C#N)CNCC3CCN(CC3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O4/c1-35-28(33)26-16-23(15-25(17-26)24-7-5-6-22(14-24)18-30)20-31-19-21-10-12-32(13-11-21)29(34)36-27-8-3-2-4-9-27/h2-9,14-17,21,31H,10-13,19-20H2,1H3