(phenylmethyl) 1-methyl-1-(5-oxidanylidene-2H-furan-2-yl)isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 1-methyl-1-(5-oxidanylidene-2H-furan-2-yl)isoquinoline-2-carboxylate Openeye Name: benzyl 1-methyl-1-(5-oxo-2H-furan-2-yl)isoquinoline-2-carboxylate CAS Name: 1-methyl-1-(5-oxo-2H-furan-2-yl)-2-isoquinolinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-methyl-1-(5-oxo-2H-furan-2-yl)isoquinoline-2-carboxylate Traditional Name: 1-(5-keto-2H-furan-2-yl)-1-methyl-isoquinoline-2-carboxylic acid benzyl ester Formula: C22H19NO4 MolecularWeight: 361.39056

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C=CN1C(=O)OCC3=CC=CC=C3)C4C=CC(=O)O4

Isomeric SMILES

CC1(C2=CC=CC=C2C=CN1C(=O)OCC3=CC=CC=C3)C4C=CC(=O)O4

InChI

InChI=1S/C22H19NO4/c1-22(19-11-12-20(24)27-19)18-10-6-5-9-17(18)13-14-23(22)21(25)26-15-16-7-3-2-4-8-16/h2-14,19H,15H2,1H3