4-(3-cyanophenyl)-5-methoxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 4-(3-cyanophenyl)-5-methoxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(3-cyanophenyl)-5-methoxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(3-cyanophenyl)-5-methoxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(3-cyanophenyl)-5-methoxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-carbomethoxy-4-(3-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O4/c1-9-13(16(20)21)15(12-6-4-5-11(7-12)8-18)14(10(2)19-9)17(22)23-3/h4-7,15,19H,1-3H3,(H,20,21)