ethyl 7-chloranyl-1-methyl-isoquinoline-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-1-methyl-isoquinoline-3-carboxylate Openeye Name: ethyl 7-chloro-1-methyl-isoquinoline-3-carboxylate CAS Name: 7-chloro-1-methyl-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-1-methylisoquinoline-3-carboxylate Traditional Name: 7-chloro-1-methyl-isoquinoline-3-carboxylic acid ethyl ester Formula: C13H12ClNO2 MolecularWeight: 249.69288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=C2C=C(C=CC2=C1)Cl)C

Isomeric SMILES

CCOC(=O)C1=NC(=C2C=C(C=CC2=C1)Cl)C

InChI

InChI=1S/C13H12ClNO2/c1-3-17-13(16)12-6-9-4-5-10(14)7-11(9)8(2)15-12/h4-7H,3H2,1-2H3