methyl 2-[2-[(5-chloranyl-2-methoxy-phenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: methyl 2-[2-[(5-chloranyl-2-methoxy-phenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[2-[(5-chloro-2-methoxy-phenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-[(5-chloro-2-methoxyanilino)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[2-[(5-chloro-2-methoxy-phenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C22H25ClN2O6 MolecularWeight: 448.8967

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)N2CCC3=CC(=C(C=C3C2CC(=O)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)N2CCC3=CC(=C(C=C3C2CC(=O)OC)OC)OC

InChI

InChI=1S/C22H25ClN2O6/c1-28-18-6-5-14(23)10-16(18)24-22(27)25-8-7-13-9-19(29-2)20(30-3)11-15(13)17(25)12-21(26)31-4/h5-6,9-11,17H,7-8,12H2,1-4H3,(H,24,27)