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

Systemtic Name: ethyl 4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-7-phenylmethoxy-isoquinoline-3-carboxylate Openeye Name: ethyl 7-benzyloxy-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-7-phenylmethoxy-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-7-phenylmethoxyisoquinoline-3-carboxylate Traditional Name: 7-benzoxy-4-butoxy-1-keto-2-neopentyl-isoquinoline-3-carboxylic acid ethyl ester Formula: C28H35NO5 MolecularWeight: 465.5812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=CC(=C2)OCC3=CC=CC=C3)CC(C)(C)C)C(=O)OCC

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=CC(=C2)OCC3=CC=CC=C3)CC(C)(C)C)C(=O)OCC

InChI

InChI=1S/C28H35NO5/c1-6-8-16-33-25-22-15-14-21(34-18-20-12-10-9-11-13-20)17-23(22)26(30)29(19-28(3,4)5)24(25)27(31)32-7-2/h9-15,17H,6-8,16,18-19H2,1-5H3