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

Systemtic Name: 2-[2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(3,4-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-(2-keto-3,4-dimethyl-chromen-7-yl)oxyacetyl]amino]propionic acid Formula: C24H22N2O7 MolecularWeight: 450.44068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O)C

InChI

InChI=1S/C24H22N2O7/c1-12-13(2)24(31)33-21-9-16(4-5-17(12)21)32-11-22(28)26-20(23(29)30)7-14-10-25-19-6-3-15(27)8-18(14)19/h3-6,8-10,20,25,27H,7,11H2,1-2H3,(H,26,28)(H,29,30)