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

Systemtic Name: pentyl 4-[[[3-(3-cyanophenyl)-5-methoxycarbonyl-phenyl]methylamino]methyl]piperidine-1-carboxylate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)N1CCC(CC1)CNCC2=CC(=CC(=C2)C(=O)OC)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCCCCOC(=O)N1CCC(CC1)CNCC2=CC(=CC(=C2)C(=O)OC)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C28H35N3O4/c1-3-4-5-13-35-28(33)31-11-9-21(10-12-31)19-30-20-23-15-25(17-26(16-23)27(32)34-2)24-8-6-7-22(14-24)18-29/h6-8,14-17,21,30H,3-5,9-13,19-20H2,1-2H3