N-(4-azanylcyclohexyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]-1-(4-methylphenyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]-1-(4-methylphenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-4-[(3,3-dimethyl-1-oxobutyl)-phenethylamino]-1-[(4-methylphenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]-1-p-toluoyl-pyrrolidine-2-carboxamide Formula: C33H46N4O3 MolecularWeight: 546.74334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)C(=O)CC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)C(=O)CC(C)(C)C

InChI

InChI=1S/C33H46N4O3/c1-23-10-12-25(13-11-23)32(40)37-22-28(20-29(37)31(39)35-27-16-14-26(34)15-17-27)36(30(38)21-33(2,3)4)19-18-24-8-6-5-7-9-24/h5-13,26-29H,14-22,34H2,1-4H3,(H,35,39)