(2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-phenethyl-amino]-1-(3-methoxyphenyl)carbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-phenethyl-amino]-1-(3-methoxyphenyl)carbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-phenethyl-amino]-1-(3-methoxybenzoyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-phenethylamino]-1-[(3-methoxyphenyl)-oxomethyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-phenethylamino]-1-(3-methoxybenzoyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanobenzyl)-phenethyl-amino]-1-m-anisoyl-pipecolinamide Formula: C32H37N5O3 MolecularWeight: 539.66788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCC(CC2C(=O)NCCN)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCC(C[C@@H]2C(=O)NCCN)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C32H37N5O3/c1-40-29-9-5-8-27(20-29)32(39)37-19-15-28(21-30(37)31(38)35-17-16-33)36(18-14-24-6-3-2-4-7-24)23-26-12-10-25(22-34)11-13-26/h2-13,20,28,30H,14-19,21,23,33H2,1H3,(H,35,38)/t28?,30-/m1/s1