4-(2-chlorophenyl)-2-methyl-6-[(E)-piperidin-1-ylmethylideneamino]-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(2-chlorophenyl)-2-methyl-6-[(E)-piperidin-1-ylmethylideneamino]-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(2-chlorophenyl)-2-methyl-6-[(E)-1-piperidylmethyleneamino]-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(2-chlorophenyl)-2-methyl-6-[(E)-1-piperidinylmethylideneamino]-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(2-chlorophenyl)-2-methyl-6-[(E)-piperidin-1-ylmethylideneamino]-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(2-chlorophenyl)-2-methyl-6-[(E)-piperidinomethyleneamino]-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)N=CN2CCCCC2)C(=O)O)C3=CC=CC=C3Cl)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)/N=C/N2CCCCC2)C(=O)O)C3=CC=CC=C3Cl)C(=O)O

InChI

InChI=1S/C20H22ClN3O4/c1-12-15(19(25)26)16(13-7-3-4-8-14(13)21)17(20(27)28)18(23-12)22-11-24-9-5-2-6-10-24/h3-4,7-8,11,16,23H,2,5-6,9-10H2,1H3,(H,25,26)(H,27,28)/b22-11+