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

Systemtic Name: N-(2-azanylethyl)-1-(4-methylphenyl)carbonyl-4-[2-methylpropanoyl(phenethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-methylbenzoyl)-4-[2-methylpropanoyl(phenethyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[(2-methyl-1-oxopropyl)-phenethylamino]-1-[(4-methylphenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-methylbenzoyl)-4-[2-methylpropanoyl(phenethyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[isobutyryl(phenethyl)amino]-1-p-toluoyl-pyrrolidine-2-carboxamide Formula: C27H36N4O3 MolecularWeight: 464.59974

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O3/c1-19(2)26(33)30(16-13-21-7-5-4-6-8-21)23-17-24(25(32)29-15-14-28)31(18-23)27(34)22-11-9-20(3)10-12-22/h4-12,19,23-24H,13-18,28H2,1-3H3,(H,29,32)