2-(aminomethyl)-4-(4-methoxyphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-(aminomethyl)-4-(4-methoxyphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-(aminomethyl)-4-(4-methoxyphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-(aminomethyl)-4-(4-methoxyphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-(aminomethyl)-4-(4-methoxyphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-(aminomethyl)-4-(4-methoxyphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C16H18N2O5 MolecularWeight: 318.32452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CN)C(=O)O)C2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)CN)C(=O)O)C2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C16H18N2O5/c1-8-12(15(19)20)13(9-3-5-10(23-2)6-4-9)14(16(21)22)11(7-17)18-8/h3-6,13,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)