4-[[6-[(4-carboxyphenyl)amino]-4,5-dimethyl-pyridin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[6-[(4-carboxyphenyl)amino]-4,5-dimethyl-pyridin-2-yl]amino]benzoic acid Openeye Name: 4-[[6-(4-carboxyanilino)-4,5-dimethyl-2-pyridyl]amino]benzoic acid CAS Name: 4-[[6-(4-carboxyanilino)-4,5-dimethyl-2-pyridinyl]amino]benzoic acid IUPAC Name: 4-[[6-(4-carboxyanilino)-4,5-dimethylpyridin-2-yl]amino]benzoic acid Traditional Name: 4-[[6-(4-carboxyanilino)-4,5-dimethyl-2-pyridyl]amino]benzoic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C)NC2=CC=C(C=C2)C(=O)O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=NC(=C1C)NC2=CC=C(C=C2)C(=O)O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H19N3O4/c1-12-11-18(22-16-7-3-14(4-8-16)20(25)26)24-19(13(12)2)23-17-9-5-15(6-10-17)21(27)28/h3-11H,1-2H3,(H,25,26)(H,27,28)(H2,22,23,24)