pentyl 6,7-dimethoxy-1-oxidanylidene-2-phenyl-isoquinoline-4-carboxylate

Systemtic Name: pentyl 6,7-dimethoxy-1-oxidanylidene-2-phenyl-isoquinoline-4-carboxylate Openeye Name: pentyl 6,7-dimethoxy-1-oxo-2-phenyl-isoquinoline-4-carboxylate CAS Name: 6,7-dimethoxy-1-oxo-2-phenyl-4-isoquinolinecarboxylic acid pentyl ester IUPAC Name: pentyl 6,7-dimethoxy-1-oxo-2-phenylisoquinoline-4-carboxylate Traditional Name: 1-keto-6,7-dimethoxy-2-phenyl-isoquinoline-4-carboxylic acid amyl ester Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5/c1-4-5-9-12-29-23(26)19-15-24(16-10-7-6-8-11-16)22(25)18-14-21(28-3)20(27-2)13-17(18)19/h6-8,10-11,13-15H,4-5,9,12H2,1-3H3