3-(1H-indol-3-yl)-2-[2-(6-oxidanylidenebenzo[c]chromen-3-yl)oxyethanoylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[2-(6-oxidanylidenebenzo[c]chromen-3-yl)oxyethanoylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[1-oxo-2-[(6-oxo-3-benzo[c][1]benzopyranyl)oxy]ethyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[2-(6-ketobenzo[c]chromen-3-yl)oxyacetyl]amino]propionic acid Formula: C26H20N2O6 MolecularWeight: 456.4468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(C=C(C=C3)OCC(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O)OC2=O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(C=C(C=C3)OCC(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O)OC2=O

InChI

InChI=1S/C26H20N2O6/c29-24(28-22(25(30)31)11-15-13-27-21-8-4-3-5-17(15)21)14-33-16-9-10-19-18-6-1-2-7-20(18)26(32)34-23(19)12-16/h1-10,12-13,22,27H,11,14H2,(H,28,29)(H,30,31)