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2-[(5-hexoxy-1H-indol-2-yl)sulfanyl]-2-phenyl-propanoic acid

2-[(5-hexoxy-1H-indol-2-yl)sulfanyl]-2-phenyl-propanoic acid

Systemtic Name:2-[(5-hexoxy-1H-indol-2-yl)sulfanyl]-2-phenyl-propanoic acid
Openeye Name:2-[(5-hexoxy-1H-indol-2-yl)sulfanyl]-2-phenyl-propanoic acid
CAS Name:2-[(5-hexoxy-1H-indol-2-yl)thio]-2-phenylpropanoic acid
IUPAC Name:2-[(5-hexoxy-1H-indol-2-yl)sulfanyl]-2-phenylpropanoic acid
Traditional Name:2-[(5-hexoxy-1H-indol-2-yl)thio]-2-phenyl-propionic acid
Formula: C23H27NO3S
MolecularWeight: 397.53038
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC2=C(C=C1)NC(=C2)SC(C)(C3=CC=CC=C3)C(=O)O


Isomeric SMILES

CCCCCCOC1=CC2=C(C=C1)NC(=C2)SC(C)(C3=CC=CC=C3)C(=O)O


InChI

InChI=1S/C23H27NO3S/c1-3-4-5-9-14-27-19-12-13-20-17(15-19)16-21(24-20)28-23(2,22(25)26)18-10-7-6-8-11-18/h6-8,10-13,15-16,24H,3-5,9,14H2,1-2H3,(H,25,26)


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