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

Systemtic Name: methyl (3R)-2-[2-(3-methylphenyl)carbonyloxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(3-methylbenzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[(3-methylphenyl)-oxomethoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(3-methylbenzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(2-m-toluoyloxyacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c1-14-6-5-9-16(10-14)20(24)27-13-19(23)22-12-17-8-4-3-7-15(17)11-18(22)21(25)26-2/h3-10,18H,11-13H2,1-2H3/t18-/m1/s1