methyl 2-[2-(4-chlorophenyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate

Systemtic Name: methyl 2-[2-(4-chlorophenyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate Openeye Name: methyl 2-[2-(4-chlorophenyl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate CAS Name: 2-[2-(4-chlorophenyl)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-chlorophenyl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate Traditional Name: 2-[2-(4-chlorophenyl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester Formula: C19H18ClNO3 MolecularWeight: 343.80412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClNO3/c1-24-19(23)17-4-2-3-14-12-21(10-9-16(14)17)18(22)11-13-5-7-15(20)8-6-13/h2-8H,9-12H2,1H3