2-[[5,6,7-trimethoxy-2-oxidanyl-4-oxidanylidene-1-(phenylmethyl)quinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[5,6,7-trimethoxy-2-oxidanyl-4-oxidanylidene-1-(phenylmethyl)quinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[(1-benzyl-2-hydroxy-5,6,7-trimethoxy-4-oxo-quinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[[2-hydroxy-5,6,7-trimethoxy-4-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-benzyl-2-hydroxy-5,6,7-trimethoxy-4-oxoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-benzyl-2-hydroxy-4-keto-5,6,7-trimethoxy-quinoline-3-carbonyl)amino]acetic acid Formula: C22H22N2O8 MolecularWeight: 442.41868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)N(C(=C(C2=O)C(=O)NCC(=O)O)O)CC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)N(C(=C(C2=O)C(=O)NCC(=O)O)O)CC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C22H22N2O8/c1-30-14-9-13-16(20(32-3)19(14)31-2)18(27)17(21(28)23-10-15(25)26)22(29)24(13)11-12-7-5-4-6-8-12/h4-9,29H,10-11H2,1-3H3,(H,23,28)(H,25,26)