2-[2-(3-ethyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[2-(3-ethyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(3-ethyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[(3-ethyl-4,8-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-ethyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(3-ethyl-2-keto-4,8-dimethyl-chromen-7-yl)oxyacetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propionic acid Formula: C26H26N2O7 MolecularWeight: 478.49384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C(C=C2)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O)C)OC1=O)C

Isomeric SMILES

CCC1=C(C2=C(C(=C(C=C2)OCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O)C)OC1=O)C

InChI

InChI=1S/C26H26N2O7/c1-4-17-13(2)18-6-8-22(14(3)24(18)35-26(17)33)34-12-23(30)28-21(25(31)32)9-15-11-27-20-7-5-16(29)10-19(15)20/h5-8,10-11,21,27,29H,4,9,12H2,1-3H3,(H,28,30)(H,31,32)