3-[3-(1-butylindol-5-yl)-4-(cyclopentylmethoxy)phenyl]propanoic acid

Systemtic Name: 3-[3-(1-butylindol-5-yl)-4-(cyclopentylmethoxy)phenyl]propanoic acid Openeye Name: 3-[3-(1-butylindol-5-yl)-4-(cyclopentylmethoxy)phenyl]propanoic acid CAS Name: 3-[3-(1-butyl-5-indolyl)-4-(cyclopentylmethoxy)phenyl]propanoic acid IUPAC Name: 3-[3-(1-butylindol-5-yl)-4-(cyclopentylmethoxy)phenyl]propanoic acid Traditional Name: 3-[3-(1-butylindol-5-yl)-4-(cyclopentylmethoxy)phenyl]propionic acid Formula: C27H33NO3 MolecularWeight: 419.55582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CC2=C1C=CC(=C2)C3=C(C=CC(=C3)CCC(=O)O)OCC4CCCC4

Isomeric SMILES

CCCCN1C=CC2=C1C=CC(=C2)C3=C(C=CC(=C3)CCC(=O)O)OCC4CCCC4

InChI

InChI=1S/C27H33NO3/c1-2-3-15-28-16-14-23-18-22(10-11-25(23)28)24-17-20(9-13-27(29)30)8-12-26(24)31-19-21-6-4-5-7-21/h8,10-12,14,16-18,21H,2-7,9,13,15,19H2,1H3,(H,29,30)