O4-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] O1-methyl benzene-1,4-dicarboxylate

Systemtic Name: O4-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester O1-methyl ester IUPAC Name: 4-O-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester O1-methyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21NO5/c1-14(19(23)22-12-11-15-5-3-4-6-18(15)13-22)27-21(25)17-9-7-16(8-10-17)20(24)26-2/h3-10,14H,11-13H2,1-2H3