ethyl 4-butoxy-2-(2,2-dimethylpropyl)-5,6-dimethoxy-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: ethyl 4-butoxy-2-(2,2-dimethylpropyl)-5,6-dimethoxy-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: ethyl 4-butoxy-2-(2,2-dimethylpropyl)-5,6-dimethoxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-butoxy-2-(2,2-dimethylpropyl)-5,6-dimethoxy-1-oxo-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-butoxy-2-(2,2-dimethylpropyl)-5,6-dimethoxy-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-butoxy-1-keto-5,6-dimethoxy-2-neopentyl-isoquinoline-3-carboxylic acid ethyl ester Formula: C23H33NO6 MolecularWeight: 419.51122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C(=C(C=C2)OC)OC)CC(C)(C)C)C(=O)OCC

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C(=C(C=C2)OC)OC)CC(C)(C)C)C(=O)OCC

InChI

InChI=1S/C23H33NO6/c1-8-10-13-30-20-17-15(11-12-16(27-6)19(17)28-7)21(25)24(14-23(3,4)5)18(20)22(26)29-9-2/h11-12H,8-10,13-14H2,1-7H3