2-[[2-oxidanyl-4-oxidanylidene-1-(phenylmethyl)-7-propan-2-yloxy-quinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2-oxidanyl-4-oxidanylidene-1-(phenylmethyl)-7-propan-2-yloxy-quinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[(1-benzyl-2-hydroxy-7-isopropoxy-4-oxo-quinoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[[2-hydroxy-4-oxo-1-(phenylmethyl)-7-propan-2-yloxy-3-quinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[(1-benzyl-2-hydroxy-4-oxo-7-propan-2-yloxyquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-benzyl-2-hydroxy-7-isopropoxy-4-keto-quinoline-3-carbonyl)amino]acetic acid Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC2=C(C=C1)C(=O)C(=C(N2CC3=CC=CC=C3)O)C(=O)NCC(=O)O

Isomeric SMILES

CC(C)OC1=CC2=C(C=C1)C(=O)C(=C(N2CC3=CC=CC=C3)O)C(=O)NCC(=O)O

InChI

InChI=1S/C22H22N2O6/c1-13(2)30-15-8-9-16-17(10-15)24(12-14-6-4-3-5-7-14)22(29)19(20(16)27)21(28)23-11-18(25)26/h3-10,13,29H,11-12H2,1-2H3,(H,23,28)(H,25,26)