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2-[1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]indol-3-yl]ethanoic acid

2-[1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]indol-3-yl]ethanoic acid

Systemtic Name:2-[1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]indol-3-yl]ethanoic acid
Openeye Name:2-[1-[3-(4-octylphenoxy)-2-oxo-propyl]indol-3-yl]acetic acid
CAS Name:2-[1-[3-(4-octylphenoxy)-2-oxopropyl]-3-indolyl]acetic acid
IUPAC Name:2-[1-[3-(4-octylphenoxy)-2-oxopropyl]indol-3-yl]acetic acid
Traditional Name:2-[1-[2-keto-3-(4-octylphenoxy)propyl]indol-3-yl]acetic acid
Formula: C27H33NO4
MolecularWeight: 435.55522
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C27H33NO4/c1-2-3-4-5-6-7-10-21-13-15-24(16-14-21)32-20-23(29)19-28-18-22(17-27(30)31)25-11-8-9-12-26(25)28/h8-9,11-16,18H,2-7,10,17,19-20H2,1H3,(H,30,31)


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