4-[3-(4-chloranylbutanoylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-[3-(4-chloranylbutanoylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-[3-(4-chlorobutanoylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-[3-[(4-chloro-1-oxobutyl)amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-[3-(4-chlorobutanoylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-[3-(4-chlorobutanoylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C19H21ClN2O5 MolecularWeight: 392.83344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)NC(=O)CCCCl)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)NC(=O)CCCCl)C(=O)O

InChI

InChI=1S/C19H21ClN2O5/c1-10-15(18(24)25)17(16(19(26)27)11(2)21-10)12-5-3-6-13(9-12)22-14(23)7-4-8-20/h3,5-6,9,17,21H,4,7-8H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)