4-(3-chlorophenyl)-2-ethyl-6-methyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)-2-ethyl-6-methyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(3-chlorophenyl)-5-[(E)-cinnamyl]oxycarbonyl-2-ethyl-6-methyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(3-chlorophenyl)-2-ethyl-6-methyl-5-[oxo-[(E)-3-phenylprop-2-enoxy]methyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(3-chlorophenyl)-2-ethyl-6-methyl-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-(3-chlorophenyl)-5-[(E)-cinnamyl]oxycarbonyl-2-ethyl-6-methyl-1,4-dihydropyridine-3-carboxylic acid Formula: C25H24ClNO4 MolecularWeight: 437.91536

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=C(N1)C)C(=O)OCC=CC2=CC=CC=C2)C3=CC(=CC=C3)Cl)C(=O)O

Isomeric SMILES

CCC1=C(C(C(=C(N1)C)C(=O)OC/C=C/C2=CC=CC=C2)C3=CC(=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C25H24ClNO4/c1-3-20-23(24(28)29)22(18-12-7-13-19(26)15-18)21(16(2)27-20)25(30)31-14-8-11-17-9-5-4-6-10-17/h4-13,15,22,27H,3,14H2,1-2H3,(H,28,29)/b11-8+