dimethyl 2-cyano-4-(3-ethynylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 2-cyano-4-(3-ethynylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 2-cyano-4-(3-ethynylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-cyano-4-(3-ethynylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-cyano-4-(3-ethynylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-cyano-4-(3-ethynylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O4/c1-5-12-7-6-8-13(9-12)16-15(18(22)24-3)11(2)21-14(10-20)17(16)19(23)25-4/h1,6-9,16,21H,2-4H3