4-(5-azanyl-2-chloranyl-phenyl)-2-ethyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(5-azanyl-2-chloranyl-phenyl)-2-ethyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(5-amino-2-chloro-phenyl)-2-ethyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(5-amino-2-chlorophenyl)-2-ethyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(5-amino-2-chlorophenyl)-2-ethyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(5-amino-2-chloro-phenyl)-2-ethyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C16H17ClN2O4 MolecularWeight: 336.77018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=C(N1)C)C(=O)O)C2=C(C=CC(=C2)N)Cl)C(=O)O

Isomeric SMILES

CCC1=C(C(C(=C(N1)C)C(=O)O)C2=C(C=CC(=C2)N)Cl)C(=O)O

InChI

InChI=1S/C16H17ClN2O4/c1-3-11-14(16(22)23)13(12(15(20)21)7(2)19-11)9-6-8(18)4-5-10(9)17/h4-6,13,19H,3,18H2,1-2H3,(H,20,21)(H,22,23)