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

Systemtic Name: methyl (3R)-2-[2-(4-ethanoyl-1-methyl-pyrrol-2-yl)carbonyloxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(4-acetyl-1-methyl-pyrrole-2-carbonyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[(4-acetyl-1-methyl-2-pyrrolyl)-oxomethoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(4-acetyl-1-methylpyrrole-2-carbonyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(4-acetyl-1-methyl-pyrrole-2-carbonyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-13(24)16-9-17(22(2)10-16)21(27)29-12-19(25)23-11-15-7-5-4-6-14(15)8-18(23)20(26)28-3/h4-7,9-10,18H,8,11-12H2,1-3H3/t18-/m1/s1