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

Systemtic Name: 2-[2-[4-(4-methoxyphenyl)-8-methyl-2-oxidanylidene-chromen-7-yl]oxypropanoylamino]-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]oxypropanoylamino]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-oxopropyl]amino]propanoic acid IUPAC Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxypropanoylamino]propanoic acid Traditional Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[2-[2-keto-4-(4-methoxyphenyl)-8-methyl-chromen-7-yl]oxypropanoylamino]propionic acid Formula: C31H28N2O8 MolecularWeight: 556.56262

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H28N2O8/c1-16-27(11-9-22-23(14-28(35)41-29(16)22)18-4-7-21(39-3)8-5-18)40-17(2)30(36)33-26(31(37)38)12-19-15-32-25-10-6-20(34)13-24(19)25/h4-11,13-15,17,26,32,34H,12H2,1-3H3,(H,33,36)(H,37,38)