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

Systemtic Name: 6-[(E)-azepan-1-ylmethylideneamino]-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 6-[(E)-azepan-1-ylmethyleneamino]-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 6-[(E)-1-azepanylmethylideneamino]-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 6-[(E)-azepan-1-ylmethylideneamino]-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 6-[(E)-azepan-1-ylmethyleneamino]-5-carbethoxy-4-(2-chlorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid Formula: C23H28ClN3O4 MolecularWeight: 445.93912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)O)C)N=CN3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)O)C)/N=C/N3CCCCCC3

InChI

InChI=1S/C23H28ClN3O4/c1-3-31-23(30)20-19(16-10-6-7-11-17(16)24)18(22(28)29)15(2)26-21(20)25-14-27-12-8-4-5-9-13-27/h6-7,10-11,14,19,26H,3-5,8-9,12-13H2,1-2H3,(H,28,29)/b25-14+