4-(3-chlorophenyl)-2-methyl-6-(phenethyloxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(3-chlorophenyl)-2-methyl-6-(phenethyloxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(3-chlorophenyl)-2-methyl-6-(phenethyloxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(3-chlorophenyl)-2-methyl-6-(phenethyloxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(3-chlorophenyl)-2-methyl-6-(phenethyloxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(3-chlorophenyl)-2-methyl-6-(phenethyloxymethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C23H22ClNO5 MolecularWeight: 427.87748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)COCCC2=CC=CC=C2)C(=O)O)C3=CC(=CC=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)COCCC2=CC=CC=C2)C(=O)O)C3=CC(=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C23H22ClNO5/c1-14-19(22(26)27)20(16-8-5-9-17(24)12-16)21(23(28)29)18(25-14)13-30-11-10-15-6-3-2-4-7-15/h2-9,12,20,25H,10-11,13H2,1H3,(H,26,27)(H,28,29)