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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(2-methoxyethanoyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(2-methoxyacetyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-(2-methoxy-1-oxoethyl)-4-[(4-nitrophenyl)methyl-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(2-methoxyacetyl)-4-[(4-nitrophenyl)methyl-phenethylamino]pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(2-methoxyacetyl)-4-[(4-nitrobenzyl)-phenethyl-amino]pyrrolidine-2-carboxamide Formula: C29H39N5O5 MolecularWeight: 537.65046

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CC(CC1C(=O)NC2CCC(CC2)N)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COCC(=O)N1CC(CC1C(=O)NC2CCC(CC2)N)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H39N5O5/c1-39-20-28(35)33-19-26(17-27(33)29(36)31-24-11-9-23(30)10-12-24)32(16-15-21-5-3-2-4-6-21)18-22-7-13-25(14-8-22)34(37)38/h2-8,13-14,23-24,26-27H,9-12,15-20,30H2,1H3,(H,31,36)