4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-7-phenylmethoxy-isoquinoline-3-carboxylic acid

Systemtic Name: 4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-7-phenylmethoxy-isoquinoline-3-carboxylic acid Openeye Name: 7-benzyloxy-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-7-phenylmethoxy-3-isoquinolinecarboxylic acid IUPAC Name: 4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-7-phenylmethoxyisoquinoline-3-carboxylic acid Traditional Name: 7-benzoxy-4-butoxy-1-keto-2-neopentyl-isoquinoline-3-carboxylic acid Formula: C26H31NO5 MolecularWeight: 437.52804

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO5/c1-5-6-14-31-23-20-13-12-19(32-16-18-10-8-7-9-11-18)15-21(20)24(28)27(17-26(2,3)4)22(23)25(29)30/h7-13,15H,5-6,14,16-17H2,1-4H3,(H,29,30)