N-(4-azanylcyclohexyl)-1-(3-methoxyphenyl)carbonyl-4-[phenethyl-(phenylmethyl)amino]pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-methoxyphenyl)carbonyl-4-[phenethyl-(phenylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[benzyl(phenethyl)amino]-1-(3-methoxybenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3-methoxyphenyl)-oxomethyl]-4-[phenethyl-(phenylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[benzyl(phenethyl)amino]-1-(3-methoxybenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[benzyl(phenethyl)amino]-1-m-anisoyl-pyrrolidine-2-carboxamide Formula: C34H42N4O3 MolecularWeight: 554.72228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C34H42N4O3/c1-41-31-14-8-13-27(21-31)34(40)38-24-30(22-32(38)33(39)36-29-17-15-28(35)16-18-29)37(23-26-11-6-3-7-12-26)20-19-25-9-4-2-5-10-25/h2-14,21,28-30,32H,15-20,22-24,35H2,1H3,(H,36,39)