methyl (3R)-2-[2-(1H-indazol-3-ylcarbonyloxy)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(1H-indazol-3-ylcarbonyloxy)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(1H-indazole-3-carbonyloxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[1H-indazol-3-yl(oxo)methoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(1H-indazole-3-carbonyloxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(1H-indazole-3-carbonyloxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)COC(=O)C3=NNC4=CC=CC=C43

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)COC(=O)C3=NNC4=CC=CC=C43

InChI

InChI=1S/C21H19N3O5/c1-28-20(26)17-10-13-6-2-3-7-14(13)11-24(17)18(25)12-29-21(27)19-15-8-4-5-9-16(15)22-23-19/h2-9,17H,10-12H2,1H3,(H,22,23)/t17-/m1/s1