3-[[3-methylbutan-2-yl(quinolin-2-ylcarbonyl)amino]methyl]benzoic acid

Systemtic Name: 3-[[3-methylbutan-2-yl(quinolin-2-ylcarbonyl)amino]methyl]benzoic acid Openeye Name: 3-[[1,2-dimethylpropyl(quinoline-2-carbonyl)amino]methyl]benzoic acid CAS Name: 3-[[3-methylbutan-2-yl-[oxo(2-quinolinyl)methyl]amino]methyl]benzoic acid IUPAC Name: 3-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid Traditional Name: 3-[[1,2-dimethylpropyl(quinaldoyl)amino]methyl]benzoic acid Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)N(CC1=CC=CC(=C1)C(=O)O)C(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)C(C)N(CC1=CC=CC(=C1)C(=O)O)C(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H24N2O3/c1-15(2)16(3)25(14-17-7-6-9-19(13-17)23(27)28)22(26)21-12-11-18-8-4-5-10-20(18)24-21/h4-13,15-16H,14H2,1-3H3,(H,27,28)