methyl 2-(3-chloranyl-4-fluoranyl-phenyl)carbonyl-3,4-dihydro-1H-isoquinoline-5-carboxylate

Systemtic Name: methyl 2-(3-chloranyl-4-fluoranyl-phenyl)carbonyl-3,4-dihydro-1H-isoquinoline-5-carboxylate Openeye Name: methyl 2-(3-chloro-4-fluoro-benzoyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate CAS Name: 2-[(3-chloro-4-fluorophenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-chloro-4-fluorobenzoyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate Traditional Name: 2-(3-chloro-4-fluoro-benzoyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester Formula: C18H15ClFNO3 MolecularWeight: 347.768003

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H15ClFNO3/c1-24-18(23)14-4-2-3-12-10-21(8-7-13(12)14)17(22)11-5-6-16(20)15(19)9-11/h2-6,9H,7-8,10H2,1H3