ethyl 4-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]oxybenzoate

Systemtic Name: ethyl 4-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]oxybenzoate Openeye Name: ethyl 4-[(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethoxy]benzoate CAS Name: 4-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]oxybenzoic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]oxybenzoate Traditional Name: 4-[(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethoxy]benzoic acid ethyl ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC(C)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)O[C@H](C)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H23NO4/c1-3-25-21(24)17-8-10-19(11-9-17)26-15(2)20(23)22-13-12-16-6-4-5-7-18(16)14-22/h4-11,15H,3,12-14H2,1-2H3/t15-/m1/s1