methyl 4-[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxo-butanoate CAS Name: 4-[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxobutanoate Traditional Name: 4-[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-keto-butyric acid methyl ester Formula: C20H20ClNO3 MolecularWeight: 357.8307

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N1CCC2=CC=CC=C2C1C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)CCC(=O)N1CCC2=CC=CC=C2C1C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClNO3/c1-25-19(24)11-10-18(23)22-13-12-14-4-2-3-5-17(14)20(22)15-6-8-16(21)9-7-15/h2-9,20H,10-13H2,1H3