N-[1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-2-[(4-nitrophenyl)methyl]-3-phenyl-propanamide

Systemtic Name: N-[1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-2-[(4-nitrophenyl)methyl]-3-phenyl-propanamide Openeye Name: 2-benzyl-N-[1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]-3-(4-nitrophenyl)propanamide CAS Name: N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-[(4-nitrophenyl)methyl]-3-phenylpropanamide IUPAC Name: 2-benzyl-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-(4-nitrophenyl)propanamide Traditional Name: 2-benzyl-N-[2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-3-(4-nitrophenyl)propionamide Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC(CC3=CNC4=CC=CC=C43)CO

Isomeric SMILES

C1=CC=C(C=C1)CC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC(CC3=CNC4=CC=CC=C43)CO

InChI

InChI=1S/C27H27N3O4/c31-18-23(16-22-17-28-26-9-5-4-8-25(22)26)29-27(32)21(14-19-6-2-1-3-7-19)15-20-10-12-24(13-11-20)30(33)34/h1-13,17,21,23,28,31H,14-16,18H2,(H,29,32)