methyl 4-(2-chlorophenyl)-2-methyl-5-(3-oxidanylprop-2-ynoyl)-6-(propoxymethyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 4-(2-chlorophenyl)-2-methyl-5-(3-oxidanylprop-2-ynoyl)-6-(propoxymethyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 4-(2-chlorophenyl)-5-(3-hydroxyprop-2-ynoyl)-2-methyl-6-(propoxymethyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2-chlorophenyl)-5-(3-hydroxy-1-oxoprop-2-ynyl)-2-methyl-6-(propoxymethyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-chlorophenyl)-5-(3-hydroxyprop-2-ynoyl)-2-methyl-6-(propoxymethyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-5-(3-hydroxypropioloyl)-2-methyl-6-(propoxymethyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2Cl)C(=O)C#CO

Isomeric SMILES

CCCOCC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2Cl)C(=O)C#CO

InChI

InChI=1S/C21H22ClNO5/c1-4-11-28-12-16-20(17(25)9-10-24)19(14-7-5-6-8-15(14)22)18(13(2)23-16)21(26)27-3/h5-8,19,23-24H,4,11-12H2,1-3H3