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

Systemtic Name: methyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-3-methoxy-benzoate Openeye Name: methyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]-3-methoxy-benzoate CAS Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-methoxybenzoate Traditional Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]-3-methoxy-benzoic acid methyl ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H21NO5/c1-24-18-11-15(20(23)25-2)7-8-17(18)26-13-19(22)21-10-9-14-5-3-4-6-16(14)12-21/h3-8,11H,9-10,12-13H2,1-2H3