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

Systemtic Name: N-(2-azanylethyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]-1-(4-methylphenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[(3,3-dimethyl-1-oxobutyl)-phenethylamino]-1-[(4-methylphenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[3,3-dimethylbutanoyl(phenethyl)amino]-1-p-toluoyl-pyrrolidine-2-carboxamide Formula: C29H40N4O3 MolecularWeight: 492.6529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NCCN)N(CCC3=CC=CC=C3)C(=O)CC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NCCN)N(CCC3=CC=CC=C3)C(=O)CC(C)(C)C

InChI

InChI=1S/C29H40N4O3/c1-21-10-12-23(13-11-21)28(36)33-20-24(18-25(33)27(35)31-16-15-30)32(26(34)19-29(2,3)4)17-14-22-8-6-5-7-9-22/h5-13,24-25H,14-20,30H2,1-4H3,(H,31,35)