[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(5-chloranyl-2-methoxy-phenyl)ethanoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(5-chloranyl-2-methoxy-phenyl)ethanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-(5-chloro-2-methoxy-phenyl)acetate CAS Name: 2-(5-chloro-2-methoxyphenyl)acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate Traditional Name: 2-(5-chloro-2-methoxy-phenyl)acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C20H20ClNO4 MolecularWeight: 373.8301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO4/c1-25-18-7-6-17(21)10-16(18)11-20(24)26-13-19(23)22-9-8-14-4-2-3-5-15(14)12-22/h2-7,10H,8-9,11-13H2,1H3