1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]indole-3,5-dicarboxylic acid

Systemtic Name: 1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]indole-3,5-dicarboxylic acid Openeye Name: 1-[3-(4-octylphenoxy)-2-oxo-propyl]indole-3,5-dicarboxylic acid CAS Name: 1-[3-(4-octylphenoxy)-2-oxopropyl]indole-3,5-dicarboxylic acid IUPAC Name: 1-[3-(4-octylphenoxy)-2-oxopropyl]indole-3,5-dicarboxylic acid Traditional Name: 1-[2-keto-3-(4-octylphenoxy)propyl]indole-3,5-dicarboxylic acid Formula: C27H31NO6 MolecularWeight: 465.53814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO6/c1-2-3-4-5-6-7-8-19-9-12-22(13-10-19)34-18-21(29)16-28-17-24(27(32)33)23-15-20(26(30)31)11-14-25(23)28/h9-15,17H,2-8,16,18H2,1H3,(H,30,31)(H,32,33)