3-(1H-indol-3-yl)-2-[2-[4-methyl-5,7-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]ethanoylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[2-[4-methyl-5,7-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]ethanoylamino]propanoic acid Openeye Name: 2-[[2-(5,7-dihydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-(5,7-dihydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(5,7-dihydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C23H20N2O7 MolecularWeight: 436.4141

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C23H20N2O7/c1-11-15(23(31)32-19-8-13(26)7-18(27)21(11)19)9-20(28)25-17(22(29)30)6-12-10-24-16-5-3-2-4-14(12)16/h2-5,7-8,10,17,24,26-27H,6,9H2,1H3,(H,25,28)(H,29,30)