2-[[3,6-bis(4-tert-butylphenyl)-7-oxidanylidene-1H-quinolin-8-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3,6-bis(4-tert-butylphenyl)-7-oxidanylidene-1H-quinolin-8-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[3,6-bis(4-tert-butylphenyl)-7-oxo-1H-quinoline-8-carbonyl]amino]acetic acid CAS Name: 2-[[[3,6-bis(4-tert-butylphenyl)-7-oxo-1H-quinolin-8-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3,6-bis(4-tert-butylphenyl)-7-oxo-1H-quinoline-8-carbonyl]amino]acetic acid Traditional Name: 2-[[3,6-bis(4-tert-butylphenyl)-7-keto-1H-quinoline-8-carbonyl]amino]acetic acid Formula: C32H34N2O4 MolecularWeight: 510.62336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC3=CC(=CNC3=C(C2=O)C(=O)NCC(=O)O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC3=CC(=CNC3=C(C2=O)C(=O)NCC(=O)O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C32H34N2O4/c1-31(2,3)23-11-7-19(8-12-23)22-15-21-16-25(20-9-13-24(14-10-20)32(4,5)6)29(37)27(28(21)33-17-22)30(38)34-18-26(35)36/h7-17,33H,18H2,1-6H3,(H,34,38)(H,35,36)