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

Systemtic Name: methyl 7-acetyloxy-1-oxidanylidene-3-phenyl-2-(phenylmethyl)isoquinoline-8-carboxylate Openeye Name: methyl 7-acetoxy-2-benzyl-1-oxo-3-phenyl-isoquinoline-8-carboxylate CAS Name: 7-acetyloxy-1-oxo-3-phenyl-2-(phenylmethyl)-8-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 7-acetyloxy-2-benzyl-1-oxo-3-phenylisoquinoline-8-carboxylate Traditional Name: 7-acetoxy-2-benzyl-1-keto-3-phenyl-isoquinoline-8-carboxylic acid methyl ester Formula: C26H21NO5 MolecularWeight: 427.44864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2=C(C=C1)C=C(N(C2=O)CC3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(=O)OC1=C(C2=C(C=C1)C=C(N(C2=O)CC3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H21NO5/c1-17(28)32-22-14-13-20-15-21(19-11-7-4-8-12-19)27(16-18-9-5-3-6-10-18)25(29)23(20)24(22)26(30)31-2/h3-15H,16H2,1-2H3