methyl (3R)-2-[2-[(3-methyl-1-benzofuran-2-yl)carbonyloxy]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-[(3-methyl-1-benzofuran-2-yl)carbonyloxy]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(3-methylbenzofuran-2-carbonyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[(3-methyl-2-benzofuranyl)-oxomethoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(3-methylbenzofuran-2-carbonyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C23H21NO6 MolecularWeight: 407.41594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)N3CC4=CC=CC=C4CC3C(=O)OC

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)N3CC4=CC=CC=C4C[C@@H]3C(=O)OC

InChI

InChI=1S/C23H21NO6/c1-14-17-9-5-6-10-19(17)30-21(14)23(27)29-13-20(25)24-12-16-8-4-3-7-15(16)11-18(24)22(26)28-2/h3-10,18H,11-13H2,1-2H3/t18-/m1/s1