(2-oxidanylidene-2-propan-2-yloxy-ethyl) 2-(4-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-propan-2-yloxy-ethyl) 2-(4-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: (2-isopropoxy-2-oxo-ethyl) 2-(4-methoxyphenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-1-oxo-4-isoquinolinecarboxylic acid (2-oxo-2-propan-2-yloxyethyl) ester IUPAC Name: (2-oxo-2-propan-2-yloxyethyl) 2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-(4-methoxyphenyl)isoquinoline-4-carboxylic acid (2-isopropoxy-2-keto-ethyl) ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)COC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)OC(=O)COC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H21NO6/c1-14(2)29-20(24)13-28-22(26)19-12-23(15-8-10-16(27-3)11-9-15)21(25)18-7-5-4-6-17(18)19/h4-12,14H,13H2,1-3H3