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

Systemtic Name: 4-(2-cyanophenyl)-2-methyl-6-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(2-cyanophenyl)-2-methyl-6-(1-piperidyl)-3,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(2-cyanophenyl)-2-methyl-6-(1-piperidinyl)-3,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(2-cyanophenyl)-2-methyl-6-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(2-cyanophenyl)-2-methyl-6-piperidino-3,4-dihydropyridine-3,5-dicarboxylic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)O)C2=CC=CC=C2C#N)C(=O)O)N3CCCCC3

Isomeric SMILES

CC1=NC(=C(C(C1C(=O)O)C2=CC=CC=C2C#N)C(=O)O)N3CCCCC3

InChI

InChI=1S/C20H21N3O4/c1-12-15(19(24)25)16(14-8-4-3-7-13(14)11-21)17(20(26)27)18(22-12)23-9-5-2-6-10-23/h3-4,7-8,15-16H,2,5-6,9-10H2,1H3,(H,24,25)(H,26,27)