3-(1H-indol-3-yl)-2-[2-(4-methyl-6-oxidanylidene-benzo[c]chromen-3-yl)oxyethanoylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[2-(4-methyl-6-oxidanylidene-benzo[c]chromen-3-yl)oxyethanoylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[2-(4-methyl-6-oxo-benzo[c]chromen-3-yl)oxyacetyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[2-[(4-methyl-6-oxo-3-benzo[c][1]benzopyranyl)oxy]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[2-(6-keto-4-methyl-benzo[c]chromen-3-yl)oxyacetyl]amino]propionic acid Formula: C27H22N2O6 MolecularWeight: 470.47338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OCC(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OCC(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C27H22N2O6/c1-15-23(11-10-19-18-7-2-3-8-20(18)27(33)35-25(15)19)34-14-24(30)29-22(26(31)32)12-16-13-28-21-9-5-4-6-17(16)21/h2-11,13,22,28H,12,14H2,1H3,(H,29,30)(H,31,32)