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

Systemtic Name: 2-(aminomethyl)-4-(3-cyanophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-(aminomethyl)-4-(3-cyanophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-(aminomethyl)-4-(3-cyanophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-(aminomethyl)-4-(3-cyanophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-(aminomethyl)-4-(3-cyanophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CN)C(=O)O)C2=CC=CC(=C2)C#N)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)CN)C(=O)O)C2=CC=CC(=C2)C#N)C(=O)O

InChI

InChI=1S/C16H15N3O4/c1-8-12(15(20)21)13(10-4-2-3-9(5-10)6-17)14(16(22)23)11(7-18)19-8/h2-5,13,19H,7,18H2,1H3,(H,20,21)(H,22,23)