2-[[1-[(4-tert-butylphenyl)methyl]-7-chloranyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1-[(4-tert-butylphenyl)methyl]-7-chloranyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-[(4-tert-butylphenyl)methyl]-7-chloro-2-hydroxy-4-oxo-quinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[1-[(4-tert-butylphenyl)methyl]-7-chloro-2-hydroxy-4-oxo-3-quinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-[(4-tert-butylphenyl)methyl]-7-chloro-2-hydroxy-4-oxoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[1-(4-tert-butylbenzyl)-7-chloro-2-hydroxy-4-keto-quinoline-3-carbonyl]amino]acetic acid Formula: C23H23ClN2O5 MolecularWeight: 442.89212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)Cl)C(=O)C(=C2O)C(=O)NCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)Cl)C(=O)C(=C2O)C(=O)NCC(=O)O

InChI

InChI=1S/C23H23ClN2O5/c1-23(2,3)14-6-4-13(5-7-14)12-26-17-10-15(24)8-9-16(17)20(29)19(22(26)31)21(30)25-11-18(27)28/h4-10,31H,11-12H2,1-3H3,(H,25,30)(H,27,28)