9-(8-cyanooctyl)-6-(1-oxidanyl-1-oxidanylidene-butan-2-yl)oxy-8-propoxy-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid

Systemtic Name: 9-(8-cyanooctyl)-6-(1-oxidanyl-1-oxidanylidene-butan-2-yl)oxy-8-propoxy-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Openeye Name: 6-(1-carboxypropoxy)-9-(8-cyanooctyl)-8-propoxy-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid CAS Name: 9-(8-cyanooctyl)-6-(1-hydroxy-1-oxobutan-2-yl)oxy-8-propoxy-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid IUPAC Name: 9-(8-cyanooctyl)-6-(1-hydroxy-1-oxobutan-2-yl)oxy-8-propoxy-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Traditional Name: 6-(1-carboxypropoxy)-9-(8-cyanooctyl)-8-propoxy-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Formula: C29H40N2O6 MolecularWeight: 512.6377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C2C(=CC(=C1)OC(CC)C(=O)O)C3=C(N2CCCCCCCCC#N)CCCC3C(=O)O

Isomeric SMILES

CCCOC1=C2C(=CC(=C1)OC(CC)C(=O)O)C3=C(N2CCCCCCCCC#N)CCCC3C(=O)O

InChI

InChI=1S/C29H40N2O6/c1-3-17-36-25-19-20(37-24(4-2)29(34)35)18-22-26-21(28(32)33)13-12-14-23(26)31(27(22)25)16-11-9-7-5-6-8-10-15-30/h18-19,21,24H,3-14,16-17H2,1-2H3,(H,32,33)(H,34,35)