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3-[1-(4-butylphenyl)sulfonyl-5-ethoxy-indol-3-yl]propanoic acid

3-[1-(4-butylphenyl)sulfonyl-5-ethoxy-indol-3-yl]propanoic acid

Systemtic Name:3-[1-(4-butylphenyl)sulfonyl-5-ethoxy-indol-3-yl]propanoic acid
Openeye Name:3-[1-(4-butylphenyl)sulfonyl-5-ethoxy-indol-3-yl]propanoic acid
CAS Name:3-[1-(4-butylphenyl)sulfonyl-5-ethoxy-3-indolyl]propanoic acid
IUPAC Name:3-[1-(4-butylphenyl)sulfonyl-5-ethoxyindol-3-yl]propanoic acid
Traditional Name:3-[1-(4-butylphenyl)sulfonyl-5-ethoxy-indol-3-yl]propionic acid
Formula: C23H27NO5S
MolecularWeight: 429.52918
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OCC)CCC(=O)O


Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OCC)CCC(=O)O


InChI

InChI=1S/C23H27NO5S/c1-3-5-6-17-7-11-20(12-8-17)30(27,28)24-16-18(9-14-23(25)26)21-15-19(29-4-2)10-13-22(21)24/h7-8,10-13,15-16H,3-6,9,14H2,1-2H3,(H,25,26)


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