methyl 2-[(1R)-2-(4-fluorophenyl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: methyl 2-[(1R)-2-(4-fluorophenyl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[(1R)-2-(4-fluorobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1R)-2-[(4-fluorophenyl)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(1R)-2-(4-fluorobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1R)-2-(4-fluorobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C21H22FNO5 MolecularWeight: 387.401483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(C=C3)F)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)C3=CC=C(C=C3)F)CC(=O)OC)OC

InChI

InChI=1S/C21H22FNO5/c1-26-18-10-14-8-9-23(21(25)13-4-6-15(22)7-5-13)17(12-20(24)28-3)16(14)11-19(18)27-2/h4-7,10-11,17H,8-9,12H2,1-3H3/t17-/m1/s1