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

Systemtic Name: 2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-6-phenylmethoxy-isoquinoline-3-carboxylic acid Openeye Name: 6-benzyloxy-2-isobutyl-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-(2-methylpropyl)-1-oxo-4-phenyl-6-phenylmethoxy-3-isoquinolinecarboxylic acid IUPAC Name: 2-(2-methylpropyl)-1-oxo-4-phenyl-6-phenylmethoxyisoquinoline-3-carboxylic acid Traditional Name: 6-benzoxy-2-isobutyl-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H25NO4/c1-18(2)16-28-25(27(30)31)24(20-11-7-4-8-12-20)23-15-21(13-14-22(23)26(28)29)32-17-19-9-5-3-6-10-19/h3-15,18H,16-17H2,1-2H3,(H,30,31)