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

Systemtic Name: 2-[(E)-azepan-1-ylmethylideneamino]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-[(E)-azepan-1-ylmethyleneamino]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-[(E)-1-azepanylmethylideneamino]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-[(E)-azepan-1-ylmethylideneamino]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-[(E)-azepan-1-ylmethyleneamino]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)N=CN2CCCCCC2)C(=O)O)C3=CC=CC=C3Cl)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)/N=C/N2CCCCCC2)C(=O)O)C3=CC=CC=C3Cl)C(=O)O

InChI

InChI=1S/C21H24ClN3O4/c1-13-16(20(26)27)17(14-8-4-5-9-15(14)22)18(21(28)29)19(24-13)23-12-25-10-6-2-3-7-11-25/h4-5,8-9,12,17,24H,2-3,6-7,10-11H2,1H3,(H,26,27)(H,28,29)/b23-12+