methyl (3R)-2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)carbonyloxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)carbonyloxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(1-ethyl-2,5-dimethyl-pyrrole-3-carbonyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[(1-ethyl-2,5-dimethyl-3-pyrrolyl)-oxomethoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(1-ethyl-2,5-dimethyl-pyrrole-3-carbonyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OCC(=O)N2CC3=CC=CC=C3CC2C(=O)OC)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)OCC(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)OC)C

InChI

InChI=1S/C22H26N2O5/c1-5-23-14(2)10-18(15(23)3)21(26)29-13-20(25)24-12-17-9-7-6-8-16(17)11-19(24)22(27)28-4/h6-10,19H,5,11-13H2,1-4H3/t19-/m1/s1