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

Systemtic Name: methyl (3R)-2-[2-(4-methyl-2-oxidanyl-phenyl)carbonyloxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(2-hydroxy-4-methyl-benzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[(2-hydroxy-4-methylphenyl)-oxomethoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(2-hydroxy-4-methylbenzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(2-hydroxy-4-methyl-benzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC(=O)N2CC3=CC=CC=C3CC2C(=O)OC)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)OC)O

InChI

InChI=1S/C21H21NO6/c1-13-7-8-16(18(23)9-13)20(25)28-12-19(24)22-11-15-6-4-3-5-14(15)10-17(22)21(26)27-2/h3-9,17,23H,10-12H2,1-2H3/t17-/m1/s1