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4-(1-heptan-4-ylindol-5-yl)benzoic acid

4-(1-heptan-4-ylindol-5-yl)benzoic acid

Systemtic Name:4-(1-heptan-4-ylindol-5-yl)benzoic acid
Openeye Name:4-[1-(1-propylbutyl)indol-5-yl]benzoic acid
CAS Name:4-(1-heptan-4-yl-5-indolyl)benzoic acid
IUPAC Name:4-(1-heptan-4-ylindol-5-yl)benzoic acid
Traditional Name:4-[1-(1-propylbutyl)indol-5-yl]benzoic acid
Formula: C22H25NO2
MolecularWeight: 335.4394
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N1C=CC2=C1C=CC(=C2)C3=CC=C(C=C3)C(=O)O


Isomeric SMILES

CCCC(CCC)N1C=CC2=C1C=CC(=C2)C3=CC=C(C=C3)C(=O)O


InChI

InChI=1S/C22H25NO2/c1-3-5-20(6-4-2)23-14-13-19-15-18(11-12-21(19)23)16-7-9-17(10-8-16)22(24)25/h7-15,20H,3-6H2,1-2H3,(H,24,25)


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