N-[3-[[3-(1-azanylethenyl)phenyl]methyl]-4-oxidanyl-1-phenyl-butan-2-yl]-4-(4-methyl-2-nitro-phenyl)benzamide

Systemtic Name: N-[3-[[3-(1-azanylethenyl)phenyl]methyl]-4-oxidanyl-1-phenyl-butan-2-yl]-4-(4-methyl-2-nitro-phenyl)benzamide Openeye Name: N-[2-[[3-(1-aminovinyl)phenyl]methyl]-1-benzyl-3-hydroxy-propyl]-4-(4-methyl-2-nitro-phenyl)benzamide CAS Name: N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-methyl-2-nitrophenyl)benzamide IUPAC Name: N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-methyl-2-nitrophenyl)benzamide Traditional Name: N-[2-[3-(1-aminovinyl)benzyl]-1-benzyl-3-hydroxy-propyl]-4-(4-methyl-2-nitro-phenyl)benzamide Formula: C33H33N3O4 MolecularWeight: 535.63282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(CC4=CC=CC(=C4)C(=C)N)CO)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(CC4=CC=CC(=C4)C(=C)N)CO)[N+](=O)[O-]

InChI

InChI=1S/C33H33N3O4/c1-22-11-16-30(32(17-22)36(39)40)26-12-14-27(15-13-26)33(38)35-31(20-24-7-4-3-5-8-24)29(21-37)19-25-9-6-10-28(18-25)23(2)34/h3-18,29,31,37H,2,19-21,34H2,1H3,(H,35,38)