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

Systemtic Name: methyl (3R)-2-[2-(1-methylindol-3-yl)carbonyloxyethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(1-methylindole-3-carbonyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[(1-methyl-3-indolyl)-oxomethoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(1-methylindole-3-carbonyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(1-methylindole-3-carbonyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)N3CC4=CC=CC=C4CC3C(=O)OC

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)N3CC4=CC=CC=C4C[C@@H]3C(=O)OC

InChI

InChI=1S/C23H22N2O5/c1-24-13-18(17-9-5-6-10-19(17)24)22(27)30-14-21(26)25-12-16-8-4-3-7-15(16)11-20(25)23(28)29-2/h3-10,13,20H,11-12,14H2,1-2H3/t20-/m1/s1