2-[2-(4-methyl-6-oxidanylidene-benzo[c]chromen-3-yl)oxypropanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[2-(4-methyl-6-oxidanylidene-benzo[c]chromen-3-yl)oxypropanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[2-(4-methyl-6-oxo-benzo[c]chromen-3-yl)oxypropanoylamino]propanoic acid CAS Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-[(4-methyl-6-oxo-3-benzo[c][1]benzopyranyl)oxy]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxypropanoylamino]propanoic acid Traditional Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[2-(6-keto-4-methyl-benzo[c]chromen-3-yl)oxypropanoylamino]propionic acid Formula: C28H24N2O7 MolecularWeight: 500.49936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OC(C)C(=O)NC(CC4=CNC5=C4C=C(C=C5)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OC(C)C(=O)NC(CC4=CNC5=C4C=C(C=C5)O)C(=O)O

InChI

InChI=1S/C28H24N2O7/c1-14-24(10-8-19-18-5-3-4-6-20(18)28(35)37-25(14)19)36-15(2)26(32)30-23(27(33)34)11-16-13-29-22-9-7-17(31)12-21(16)22/h3-10,12-13,15,23,29,31H,11H2,1-2H3,(H,30,32)(H,33,34)