ethyl 4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-benzo[g]isoquinoline-3-carboxylate

Systemtic Name: ethyl 4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-benzo[g]isoquinoline-3-carboxylate Openeye Name: ethyl 4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-benzo[g]isoquinoline-3-carboxylate CAS Name: 4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-3-benzo[g]isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-butoxy-2-(2,2-dimethylpropyl)-1-oxobenzo[g]isoquinoline-3-carboxylate Traditional Name: 4-butoxy-1-keto-2-neopentyl-benz[g]isoquinoline-3-carboxylic acid ethyl ester Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=CC3=CC=CC=C3C=C21)CC(C)(C)C)C(=O)OCC

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=CC3=CC=CC=C3C=C21)CC(C)(C)C)C(=O)OCC

InChI

InChI=1S/C25H31NO4/c1-6-8-13-30-22-19-14-17-11-9-10-12-18(17)15-20(19)23(27)26(16-25(3,4)5)21(22)24(28)29-7-2/h9-12,14-15H,6-8,13,16H2,1-5H3