6-butyl-1-oxidanylidene-4-phenyl-2-(phenylmethyl)isoquinoline-3-carboxylic acid

Systemtic Name: 6-butyl-1-oxidanylidene-4-phenyl-2-(phenylmethyl)isoquinoline-3-carboxylic acid Openeye Name: 2-benzyl-6-butyl-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-butyl-1-oxo-4-phenyl-2-(phenylmethyl)-3-isoquinolinecarboxylic acid IUPAC Name: 2-benzyl-6-butyl-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-benzyl-6-butyl-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C27H25NO3 MolecularWeight: 411.4923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C27H25NO3/c1-2-3-10-19-15-16-22-23(17-19)24(21-13-8-5-9-14-21)25(27(30)31)28(26(22)29)18-20-11-6-4-7-12-20/h4-9,11-17H,2-3,10,18H2,1H3,(H,30,31)