methyl (3R)-2-[2-[(3-phenyl-1H-pyrazol-5-yl)carbonyloxy]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-[(3-phenyl-1H-pyrazol-5-yl)carbonyloxy]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[1-oxo-2-[oxo-(3-phenyl-1H-pyrazol-5-yl)methoxy]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)COC(=O)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)COC(=O)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O5/c1-30-23(29)20-11-16-9-5-6-10-17(16)13-26(20)21(27)14-31-22(28)19-12-18(24-25-19)15-7-3-2-4-8-15/h2-10,12,20H,11,13-14H2,1H3,(H,24,25)/t20-/m1/s1