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

Systemtic Name: methyl 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-4-methyl-benzoate Openeye Name: methyl 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]-4-methyl-benzoate CAS Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-4-methylbenzoate Traditional Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]-4-methyl-benzoic acid methyl ester Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)OCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)OCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H21NO4/c1-14-7-8-16(20(23)24-2)11-18(14)25-13-19(22)21-10-9-15-5-3-4-6-17(15)12-21/h3-8,11H,9-10,12-13H2,1-2H3