(2Z)-2-[4-[hydroxymethyl(phenethyl)amino]-2-oxidanylidene-pyridin-3-ylidene]-7-methyl-1,3-dihydrobenzimidazole-5-carboxylic acid

Systemtic Name: (2Z)-2-[4-[hydroxymethyl(phenethyl)amino]-2-oxidanylidene-pyridin-3-ylidene]-7-methyl-1,3-dihydrobenzimidazole-5-carboxylic acid Openeye Name: (2Z)-2-[4-[hydroxymethyl(phenethyl)amino]-2-oxo-3-pyridylidene]-7-methyl-1,3-dihydrobenzimidazole-5-carboxylic acid CAS Name: (2Z)-2-[4-[hydroxymethyl(phenethyl)amino]-2-oxo-3-pyridinylidene]-7-methyl-1,3-dihydrobenzimidazole-5-carboxylic acid IUPAC Name: (2Z)-2-[4-[hydroxymethyl(phenethyl)amino]-2-oxopyridin-3-ylidene]-7-methyl-1,3-dihydrobenzimidazole-5-carboxylic acid Traditional Name: (2Z)-2-[2-keto-4-[methylol(phenethyl)amino]-3-pyridylidene]-7-methyl-1,3-dihydrobenzimidazole-5-carboxylic acid Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)C(=O)O)NC(=C3C(=CC=NC3=O)N(CCC4=CC=CC=C4)CO)N2

Isomeric SMILES

CC1=C2C(=CC(=C1)C(=O)O)N/C(=C/3\C(=CC=NC3=O)N(CCC4=CC=CC=C4)CO)/N2

InChI

InChI=1S/C23H22N4O4/c1-14-11-16(23(30)31)12-17-20(14)26-21(25-17)19-18(7-9-24-22(19)29)27(13-28)10-8-15-5-3-2-4-6-15/h2-7,9,11-12,25-26,28H,8,10,13H2,1H3,(H,30,31)/b21-19-