methyl 4-[6-(4-chloranylbutanoylamino)-2-methyl-pyridin-3-yl]benzoate

Systemtic Name: methyl 4-[6-(4-chloranylbutanoylamino)-2-methyl-pyridin-3-yl]benzoate Openeye Name: methyl 4-[6-(4-chlorobutanoylamino)-2-methyl-3-pyridyl]benzoate CAS Name: 4-[6-[(4-chloro-1-oxobutyl)amino]-2-methyl-3-pyridinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[6-(4-chlorobutanoylamino)-2-methylpyridin-3-yl]benzoate Traditional Name: 4-[6-(4-chlorobutanoylamino)-2-methyl-3-pyridyl]benzoic acid methyl ester Formula: C18H19ClN2O3 MolecularWeight: 346.80806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O3/c1-12-15(13-5-7-14(8-6-13)18(23)24-2)9-10-16(20-12)21-17(22)4-3-11-19/h5-10H,3-4,11H2,1-2H3,(H,20,21,22)