2-(1H-indol-3-ylmethyl)-6-methyl-3-oxidanylidene-2-(phenylmethoxydiazenyl)heptanoic acid

Systemtic Name: 2-(1H-indol-3-ylmethyl)-6-methyl-3-oxidanylidene-2-(phenylmethoxydiazenyl)heptanoic acid Openeye Name: 2-benzyloxyazo-2-(1H-indol-3-ylmethyl)-6-methyl-3-oxo-heptanoic acid CAS Name: 2-(1H-indol-3-ylmethyl)-6-methyl-3-oxo-2-phenylmethoxyazoheptanoic acid IUPAC Name: 2-(1H-indol-3-ylmethyl)-6-methyl-3-oxo-2-(phenylmethoxydiazenyl)heptanoic acid Traditional Name: 2-benzoxyazo-2-(1H-indol-3-ylmethyl)-3-keto-6-methyl-enanthic acid Formula: C24H27N3O4 MolecularWeight: 421.48888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)C(CC1=CNC2=CC=CC=C21)(C(=O)O)N=NOCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCC(=O)C(CC1=CNC2=CC=CC=C21)(C(=O)O)N=NOCC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O4/c1-17(2)12-13-22(28)24(23(29)30,26-27-31-16-18-8-4-3-5-9-18)14-19-15-25-21-11-7-6-10-20(19)21/h3-11,15,17,25H,12-14,16H2,1-2H3,(H,29,30)