4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-isoquinoline-3-carboxylic acid

Systemtic Name: 4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-isoquinoline-3-carboxylic acid Openeye Name: 6-benzyloxy-4-butoxy-2-isobutyl-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 4-butoxy-2-(2-methylpropyl)-1-oxo-6-phenylmethoxy-3-isoquinolinecarboxylic acid IUPAC Name: 4-butoxy-2-(2-methylpropyl)-1-oxo-6-phenylmethoxyisoquinoline-3-carboxylic acid Traditional Name: 6-benzoxy-4-butoxy-2-isobutyl-1-keto-isoquinoline-3-carboxylic acid Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO5/c1-4-5-13-30-23-21-14-19(31-16-18-9-7-6-8-10-18)11-12-20(21)24(27)26(15-17(2)3)22(23)25(28)29/h6-12,14,17H,4-5,13,15-16H2,1-3H3,(H,28,29)