methyl (3R)-2-[2-(4-methoxy-2-oxidanyl-phenyl)carbonyloxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(4-methoxy-2-oxidanyl-phenyl)carbonyloxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(2-hydroxy-4-methoxy-benzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[(2-hydroxy-4-methoxyphenyl)-oxomethoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(2-hydroxy-4-methoxybenzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(2-hydroxy-4-methoxy-benzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)OCC(=O)N2CC3=CC=CC=C3CC2C(=O)OC)O

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)OCC(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)OC)O

InChI

InChI=1S/C21H21NO7/c1-27-15-7-8-16(18(23)10-15)20(25)29-12-19(24)22-11-14-6-4-3-5-13(14)9-17(22)21(26)28-2/h3-8,10,17,23H,9,11-12H2,1-2H3/t17-/m1/s1