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

Systemtic Name: N-(2-azanylethyl)-1-(4-methylphenyl)carbonyl-4-[(2-methylphenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-methylbenzoyl)-4-[o-tolylmethyl(phenethyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-phenethylamino]-1-[(4-methylphenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-methylbenzoyl)-4-[(2-methylphenyl)methyl-phenethylamino]pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[(2-methylbenzyl)-phenethyl-amino]-1-p-toluoyl-pyrrolidine-2-carboxamide Formula: C31H38N4O2 MolecularWeight: 498.65902

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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)CC4=CC=CC=C4C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NCCN)N(CCC3=CC=CC=C3)CC4=CC=CC=C4C

InChI

InChI=1S/C31H38N4O2/c1-23-12-14-26(15-13-23)31(37)35-22-28(20-29(35)30(36)33-18-17-32)34(19-16-25-9-4-3-5-10-25)21-27-11-7-6-8-24(27)2/h3-15,28-29H,16-22,32H2,1-2H3,(H,33,36)