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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4CC4)C(=O)NC5CCC(CC5)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4CC4)C(=O)NC5CCC(CC5)N

InChI

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