ethyl 4-butoxy-2-(2,2-dimethylpropyl)-7-methyl-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: ethyl 4-butoxy-2-(2,2-dimethylpropyl)-7-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: ethyl 4-butoxy-2-(2,2-dimethylpropyl)-7-methyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-butoxy-2-(2,2-dimethylpropyl)-7-methyl-1-oxo-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-butoxy-2-(2,2-dimethylpropyl)-7-methyl-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-butoxy-1-keto-7-methyl-2-neopentyl-isoquinoline-3-carboxylic acid ethyl ester Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO4/c1-7-9-12-27-19-16-11-10-15(3)13-17(16)20(24)23(14-22(4,5)6)18(19)21(25)26-8-2/h10-11,13H,7-9,12,14H2,1-6H3