[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C18H17ClN2O3 MolecularWeight: 344.79218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN2O3/c1-12(24-18(23)14-6-7-16(19)20-10-14)17(22)21-9-8-13-4-2-3-5-15(13)11-21/h2-7,10,12H,8-9,11H2,1H3