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

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

Systemtic Name:1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]indole-3-carboxylic acid
Openeye Name:1-[3-(4-octylphenoxy)-2-oxo-propyl]indole-3-carboxylic acid
CAS Name:1-[3-(4-octylphenoxy)-2-oxopropyl]-3-indolecarboxylic acid
IUPAC Name:1-[3-(4-octylphenoxy)-2-oxopropyl]indole-3-carboxylic acid
Traditional Name:1-[2-keto-3-(4-octylphenoxy)propyl]indole-3-carboxylic acid
Formula: C26H31NO4
MolecularWeight: 421.52864
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C=C(C3=CC=CC=C32)C(=O)O


Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C=C(C3=CC=CC=C32)C(=O)O


InChI

InChI=1S/C26H31NO4/c1-2-3-4-5-6-7-10-20-13-15-22(16-14-20)31-19-21(28)17-27-18-24(26(29)30)23-11-8-9-12-25(23)27/h8-9,11-16,18H,2-7,10,17,19H2,1H3,(H,29,30)


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