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

Systemtic Name: methyl (3R)-2-[2-(3,4-dimethylphenyl)carbonyloxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(3,4-dimethylbenzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[(3,4-dimethylphenyl)-oxomethoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(3,4-dimethylbenzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(3,4-dimethylbenzoyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5/c1-14-8-9-17(10-15(14)2)21(25)28-13-20(24)23-12-18-7-5-4-6-16(18)11-19(23)22(26)27-3/h4-10,19H,11-13H2,1-3H3/t19-/m1/s1