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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(3-methoxyphenyl)carbonyl-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-[(3-methoxyphenyl)-oxomethyl]-4-[(4-nitrophenyl)methyl-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-4-[(4-nitrophenyl)methyl-phenethylamino]pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-m-anisoyl-4-[(4-nitrobenzyl)-phenethyl-amino]pyrrolidine-2-carboxamide Formula: C34H41N5O5 MolecularWeight: 599.71984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C34H41N5O5/c1-44-31-9-5-8-26(20-31)34(41)38-23-30(21-32(38)33(40)36-28-14-12-27(35)13-15-28)37(19-18-24-6-3-2-4-7-24)22-25-10-16-29(17-11-25)39(42)43/h2-11,16-17,20,27-28,30,32H,12-15,18-19,21-23,35H2,1H3,(H,36,40)