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

Systemtic Name: 2-[2-(4-ethyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxyethanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(4-ethyl-7-methyl-2-oxo-chromen-5-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[(4-ethyl-7-methyl-2-oxo-1-benzopyran-5-yl)oxy]-1-oxoethyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(4-ethyl-2-keto-7-methyl-chromen-5-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propionic acid Formula: C25H24N2O7 MolecularWeight: 464.46726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

Isomeric SMILES

CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

InChI

InChI=1S/C25H24N2O7/c1-3-14-9-23(30)34-21-7-13(2)6-20(24(14)21)33-12-22(29)27-19(25(31)32)8-15-11-26-18-5-4-16(28)10-17(15)18/h4-7,9-11,19,26,28H,3,8,12H2,1-2H3,(H,27,29)(H,31,32)