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

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

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

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C3=CC=CC=C3C=C2C(=O)O


Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C3=CC=CC=C3C=C2C(=O)O


InChI

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


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