3-ethanoyl-1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]indole-5-carboxylic acid

Systemtic Name: 3-ethanoyl-1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]indole-5-carboxylic acid Openeye Name: 3-acetyl-1-[3-(4-octylphenoxy)-2-oxo-propyl]indole-5-carboxylic acid CAS Name: 3-acetyl-1-[3-(4-octylphenoxy)-2-oxopropyl]-5-indolecarboxylic acid IUPAC Name: 3-acetyl-1-[3-(4-octylphenoxy)-2-oxopropyl]indole-5-carboxylic acid Traditional Name: 3-acetyl-1-[2-keto-3-(4-octylphenoxy)propyl]indole-5-carboxylic acid Formula: C28H33NO5 MolecularWeight: 463.56532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C=C(C3=C2C=CC(=C3)C(=O)O)C(=O)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C=C(C3=C2C=CC(=C3)C(=O)O)C(=O)C

InChI

InChI=1S/C28H33NO5/c1-3-4-5-6-7-8-9-21-10-13-24(14-11-21)34-19-23(31)17-29-18-26(20(2)30)25-16-22(28(32)33)12-15-27(25)29/h10-16,18H,3-9,17,19H2,1-2H3,(H,32,33)