2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-7-phenylmethoxy-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-7-phenylmethoxy-isoquinoline-3-carboxylic acid Openeye Name: 7-benzyloxy-2-isobutyl-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-(2-methylpropyl)-1-oxo-4-phenyl-7-phenylmethoxy-3-isoquinolinecarboxylic acid IUPAC Name: 2-(2-methylpropyl)-1-oxo-4-phenyl-7-phenylmethoxyisoquinoline-3-carboxylic acid Traditional Name: 7-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=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=C(C=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)22-14-13-21(15-23(22)26(28)29)32-17-19-9-5-3-6-10-19/h3-15,18H,16-17H2,1-2H3,(H,30,31)