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

Systemtic Name: methyl 4-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-oxo-4-[1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]butanoate CAS Name: 4-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]butyric acid methyl ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=CC=CC=C3CCN2C(=O)CCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=CC=CC=C3CCN2C(=O)CCC(=O)OC

InChI

InChI=1S/C21H23NO3/c1-15-7-9-17(10-8-15)21-18-6-4-3-5-16(18)13-14-22(21)19(23)11-12-20(24)25-2/h3-10,21H,11-14H2,1-2H3