2-[[3-(4-tert-butylphenyl)-7-oxidanylidene-1H-quinolin-8-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3-(4-tert-butylphenyl)-7-oxidanylidene-1H-quinolin-8-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[3-(4-tert-butylphenyl)-7-oxo-1H-quinoline-8-carbonyl]amino]acetic acid CAS Name: 2-[[[3-(4-tert-butylphenyl)-7-oxo-1H-quinolin-8-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3-(4-tert-butylphenyl)-7-oxo-1H-quinoline-8-carbonyl]amino]acetic acid Traditional Name: 2-[[3-(4-tert-butylphenyl)-7-keto-1H-quinoline-8-carbonyl]amino]acetic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CNC3=C(C(=O)C=CC3=C2)C(=O)NCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CNC3=C(C(=O)C=CC3=C2)C(=O)NCC(=O)O

InChI

InChI=1S/C22H22N2O4/c1-22(2,3)16-7-4-13(5-8-16)15-10-14-6-9-17(25)19(20(14)23-11-15)21(28)24-12-18(26)27/h4-11,23H,12H2,1-3H3,(H,24,28)(H,26,27)