methyl 7-acetyloxy-3-methyl-1-oxidanylidene-2-(phenylmethyl)isoquinoline-8-carboxylate

Systemtic Name: methyl 7-acetyloxy-3-methyl-1-oxidanylidene-2-(phenylmethyl)isoquinoline-8-carboxylate Openeye Name: methyl 7-acetoxy-2-benzyl-3-methyl-1-oxo-isoquinoline-8-carboxylate CAS Name: 7-acetyloxy-3-methyl-1-oxo-2-(phenylmethyl)-8-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 7-acetyloxy-2-benzyl-3-methyl-1-oxoisoquinoline-8-carboxylate Traditional Name: 7-acetoxy-2-benzyl-1-keto-3-methyl-isoquinoline-8-carboxylic acid methyl ester Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C=C2)OC(=O)C)C(=O)OC)C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C(=C(C=C2)OC(=O)C)C(=O)OC)C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C21H19NO5/c1-13-11-16-9-10-17(27-14(2)23)19(21(25)26-3)18(16)20(24)22(13)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3