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

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

Systemtic Name:ethyl 4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinoline-3-carboxylate
Openeye Name:ethyl 4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-isoquinoline-3-carboxylate
CAS Name:4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolinecarboxylic acid ethyl ester
IUPAC Name:ethyl 4-butoxy-2-(2,2-dimethylpropyl)-1-oxoisoquinoline-3-carboxylate
Traditional Name:4-butoxy-1-keto-2-neopentyl-isoquinoline-3-carboxylic acid ethyl ester
Formula: C21H29NO4
MolecularWeight: 359.45926
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H29NO4/c1-6-8-13-26-18-15-11-9-10-12-16(15)19(23)22(14-21(3,4)5)17(18)20(24)25-7-2/h9-12H,6-8,13-14H2,1-5H3


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