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3-(1,7-diethylindol-3-yl)-3-(3-phenoxyphenyl)propanoic acid

3-(1,7-diethylindol-3-yl)-3-(3-phenoxyphenyl)propanoic acid

Systemtic Name:3-(1,7-diethylindol-3-yl)-3-(3-phenoxyphenyl)propanoic acid
Openeye Name:3-(1,7-diethylindol-3-yl)-3-(3-phenoxyphenyl)propanoic acid
CAS Name:3-(1,7-diethyl-3-indolyl)-3-(3-phenoxyphenyl)propanoic acid
IUPAC Name:3-(1,7-diethylindol-3-yl)-3-(3-phenoxyphenyl)propanoic acid
Traditional Name:3-(1,7-diethylindol-3-yl)-3-(3-phenoxyphenyl)propionic acid
Formula: C27H27NO3
MolecularWeight: 413.50818
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1N(C=C2C(CC(=O)O)C3=CC(=CC=C3)OC4=CC=CC=C4)CC


Isomeric SMILES

CCC1=CC=CC2=C1N(C=C2C(CC(=O)O)C3=CC(=CC=C3)OC4=CC=CC=C4)CC


InChI

InChI=1S/C27H27NO3/c1-3-19-10-9-15-23-25(18-28(4-2)27(19)23)24(17-26(29)30)20-11-8-14-22(16-20)31-21-12-6-5-7-13-21/h5-16,18,24H,3-4,17H2,1-2H3,(H,29,30)


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