4-(2-chloranyl-3-pyrrol-1-yl-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(2-chloranyl-3-pyrrol-1-yl-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(2-chloro-3-pyrrol-1-yl-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-[2-chloro-3-(1-pyrrolyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(2-chloro-3-pyrrol-1-ylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(2-chloro-3-pyrrol-1-yl-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C19H17ClN2O4 MolecularWeight: 372.80228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=C(C(=CC=C2)N3C=CC=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=C(C(=CC=C2)N3C=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C19H17ClN2O4/c1-10-14(18(23)24)16(15(19(25)26)11(2)21-10)12-6-5-7-13(17(12)20)22-8-3-4-9-22/h3-9,16,21H,1-2H3,(H,23,24)(H,25,26)