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

Systemtic Name: methyl (3R)-2-[2-(3-acetamidophenyl)carbonyloxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(3-acetamidobenzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[(3-acetamidophenyl)-oxomethoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(3-acetamidobenzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(3-acetamidobenzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N2CC3=CC=CC=C3CC2C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)OC

InChI

InChI=1S/C22H22N2O6/c1-14(25)23-18-9-5-8-16(10-18)21(27)30-13-20(26)24-12-17-7-4-3-6-15(17)11-19(24)22(28)29-2/h3-10,19H,11-13H2,1-2H3,(H,23,25)/t19-/m1/s1