4-[[[2-(4-ethylphenyl)-3-methyl-quinolin-4-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[2-(4-ethylphenyl)-3-methyl-quinolin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(4-ethylphenyl)-3-methyl-quinoline-4-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[2-(4-ethylphenyl)-3-methyl-4-quinolinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(4-ethylphenyl)-3-methylquinoline-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(4-ethylphenyl)-3-methyl-quinoline-4-carbonyl]amino]methyl]benzoic acid Formula: C27H24N2O3 MolecularWeight: 424.49106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)NCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)NCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H24N2O3/c1-3-18-8-12-20(13-9-18)25-17(2)24(22-6-4-5-7-23(22)29-25)26(30)28-16-19-10-14-21(15-11-19)27(31)32/h4-15H,3,16H2,1-2H3,(H,28,30)(H,31,32)