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

Systemtic Name: N-(4-azanylcyclohexyl)-4-[cyclopropylcarbonyl(phenethyl)amino]-1-(3-methoxyphenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[cyclopropanecarbonyl(phenethyl)amino]-1-(3-methoxybenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-4-[[cyclopropyl(oxo)methyl]-phenethylamino]-1-[(3-methoxyphenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[cyclopropanecarbonyl(phenethyl)amino]-1-(3-methoxybenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[cyclopropanecarbonyl(phenethyl)amino]-1-m-anisoyl-pyrrolidine-2-carboxamide Formula: C31H40N4O4 MolecularWeight: 532.6737

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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)C(=O)C5CC5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)C(=O)C5CC5

InChI

InChI=1S/C31H40N4O4/c1-39-27-9-5-8-23(18-27)31(38)35-20-26(19-28(35)29(36)33-25-14-12-24(32)13-15-25)34(30(37)22-10-11-22)17-16-21-6-3-2-4-7-21/h2-9,18,22,24-26,28H,10-17,19-20,32H2,1H3,(H,33,36)