N3-[4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-5-nitro-N1-(1-phenylethyl)benzene-1,3-dicarboxamide

Systemtic Name: N3-[4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-5-nitro-N1-(1-phenylethyl)benzene-1,3-dicarboxamide Openeye Name: N3-[1-benzyl-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-5-nitro-N1-(1-phenylethyl)benzene-1,3-dicarboxamide CAS Name: N3-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-5-nitro-N1-(1-phenylethyl)benzene-1,3-dicarboxamide IUPAC Name: 3-N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-5-nitro-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide Traditional Name: N'-[1-benzyl-2-hydroxy-3-(m-anisylamino)propyl]-5-nitro-N-(1-phenylethyl)isophthalamide Formula: C34H36N4O6 MolecularWeight: 596.67284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NC(CC3=CC=CC=C3)C(CNCC4=CC(=CC=C4)OC)O

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NC(CC3=CC=CC=C3)C(CNCC4=CC(=CC=C4)OC)O

InChI

InChI=1S/C34H36N4O6/c1-23(26-13-7-4-8-14-26)36-33(40)27-18-28(20-29(19-27)38(42)43)34(41)37-31(17-24-10-5-3-6-11-24)32(39)22-35-21-25-12-9-15-30(16-25)44-2/h3-16,18-20,23,31-32,35,39H,17,21-22H2,1-2H3,(H,36,40)(H,37,41)