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

Systemtic Name: 2-[2-[4-(4-methoxyphenyl)-8-methyl-2-oxidanylidene-chromen-7-yl]oxyethanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-[4-(4-methoxyphenyl)-8-methyl-2-oxo-chromen-7-yl]oxyacetyl]amino]propanoic acid CAS Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-[[4-(4-methoxyphenyl)-8-methyl-2-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetyl]amino]propanoic acid Traditional Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-[2-keto-4-(4-methoxyphenyl)-8-methyl-chromen-7-yl]oxyacetyl]amino]propionic acid Formula: C30H26N2O8 MolecularWeight: 542.53604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=C(C=C3)OC)OCC(=O)NC(CC4=CNC5=C4C=C(C=C5)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=C(C=C3)OC)OCC(=O)NC(CC4=CNC5=C4C=C(C=C5)O)C(=O)O

InChI

InChI=1S/C30H26N2O8/c1-16-26(10-8-21-22(13-28(35)40-29(16)21)17-3-6-20(38-2)7-4-17)39-15-27(34)32-25(30(36)37)11-18-14-31-24-9-5-19(33)12-23(18)24/h3-10,12-14,25,31,33H,11,15H2,1-2H3,(H,32,34)(H,36,37)