4-(3-cyanophenyl)-2,6-dimethyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 4-(3-cyanophenyl)-2,6-dimethyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-[(E)-cinnamyl]oxycarbonyl-4-(3-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(3-cyanophenyl)-2,6-dimethyl-5-[oxo-[(E)-3-phenylprop-2-enoxy]methyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(3-cyanophenyl)-2,6-dimethyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-[(E)-cinnamyl]oxycarbonyl-4-(3-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC=CC2=CC=CC=C2)C3=CC=CC(=C3)C#N)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC/C=C/C2=CC=CC=C2)C3=CC=CC(=C3)C#N)C(=O)O

InChI

InChI=1S/C25H22N2O4/c1-16-21(24(28)29)23(20-12-6-10-19(14-20)15-26)22(17(2)27-16)25(30)31-13-7-11-18-8-4-3-5-9-18/h3-12,14,23,27H,13H2,1-2H3,(H,28,29)/b11-7+