3-[7-methyl-4-oxidanylidene-2-(phenylmethoxydiazenyl)octyl]indole-1-carboxylic acid

Systemtic Name: 3-[7-methyl-4-oxidanylidene-2-(phenylmethoxydiazenyl)octyl]indole-1-carboxylic acid Openeye Name: 3-(2-benzyloxyazo-7-methyl-4-oxo-octyl)indole-1-carboxylic acid CAS Name: 3-(7-methyl-4-oxo-2-phenylmethoxyazooctyl)-1-indolecarboxylic acid IUPAC Name: 3-[7-methyl-4-oxo-2-(phenylmethoxydiazenyl)octyl]indole-1-carboxylic acid Traditional Name: 3-(2-benzoxyazo-4-keto-7-methyl-octyl)indole-1-carboxylic acid Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)CC(CC1=CN(C2=CC=CC=C21)C(=O)O)N=NOCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCC(=O)CC(CC1=CN(C2=CC=CC=C21)C(=O)O)N=NOCC3=CC=CC=C3

InChI

InChI=1S/C25H29N3O4/c1-18(2)12-13-22(29)15-21(26-27-32-17-19-8-4-3-5-9-19)14-20-16-28(25(30)31)24-11-7-6-10-23(20)24/h3-11,16,18,21H,12-15,17H2,1-2H3,(H,30,31)