2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanyl-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanyl-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-1-oxo-3-phenylpropyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[(3-hydroxy-3-phenyl-2-piperonyl-propanoyl)amino]-3-(1H-indol-3-yl)propionic acid Formula: C28H26N2O6 MolecularWeight: 486.51584

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(C(C3=CC=CC=C3)O)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC(C(C3=CC=CC=C3)O)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C28H26N2O6/c31-26(18-6-2-1-3-7-18)21(12-17-10-11-24-25(13-17)36-16-35-24)27(32)30-23(28(33)34)14-19-15-29-22-9-5-4-8-20(19)22/h1-11,13,15,21,23,26,29,31H,12,14,16H2,(H,30,32)(H,33,34)