methyl 6-(2-azanylethoxymethyl)-5-butanoyl-4-(2-chlorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 6-(2-azanylethoxymethyl)-5-butanoyl-4-(2-chlorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 6-(2-aminoethoxymethyl)-5-butanoyl-4-(2-chlorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-2-methyl-5-(1-oxobutyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-(2-aminoethoxymethyl)-5-butanoyl-4-(2-chlorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-(2-aminoethoxymethyl)-5-butyryl-4-(2-chlorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C21H27ClN2O4 MolecularWeight: 406.90308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN

Isomeric SMILES

CCCC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN

InChI

InChI=1S/C21H27ClN2O4/c1-4-7-17(25)20-16(12-28-11-10-23)24-13(2)18(21(26)27-3)19(20)14-8-5-6-9-15(14)22/h5-6,8-9,19,24H,4,7,10-12,23H2,1-3H3