N-(2-azanylethyl)-1-(3-methoxyphenyl)carbonyl-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3-methoxyphenyl)carbonyl-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[isobutyl-[(4-nitrophenyl)methyl]amino]-1-(3-methoxybenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-methoxyphenyl)-oxomethyl]-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-methoxybenzoyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[isobutyl-(4-nitrobenzyl)amino]-1-m-anisoyl-pyrrolidine-2-carboxamide Formula: C26H35N5O5 MolecularWeight: 497.5866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CC(N(C2)C(=O)C3=CC(=CC=C3)OC)C(=O)NCCN

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CC(N(C2)C(=O)C3=CC(=CC=C3)OC)C(=O)NCCN

InChI

InChI=1S/C26H35N5O5/c1-18(2)15-29(16-19-7-9-21(10-8-19)31(34)35)22-14-24(25(32)28-12-11-27)30(17-22)26(33)20-5-4-6-23(13-20)36-3/h4-10,13,18,22,24H,11-12,14-17,27H2,1-3H3,(H,28,32)