3-[4-(1-pentylindol-3-yl)piperidin-1-yl]propanoic acid

Systemtic Name: 3-[4-(1-pentylindol-3-yl)piperidin-1-yl]propanoic acid Openeye Name: 3-[4-(1-pentylindol-3-yl)-1-piperidyl]propanoic acid CAS Name: 3-[4-(1-pentyl-3-indolyl)-1-piperidinyl]propanoic acid IUPAC Name: 3-[4-(1-pentylindol-3-yl)piperidin-1-yl]propanoic acid Traditional Name: 3-[4-(1-amylindol-3-yl)piperidino]propionic acid Formula: C21H30N2O2 MolecularWeight: 342.4751

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=C(C2=CC=CC=C21)C3CCN(CC3)CCC(=O)O

Isomeric SMILES

CCCCCN1C=C(C2=CC=CC=C21)C3CCN(CC3)CCC(=O)O

InChI

InChI=1S/C21H30N2O2/c1-2-3-6-12-23-16-19(18-7-4-5-8-20(18)23)17-9-13-22(14-10-17)15-11-21(24)25/h4-5,7-8,16-17H,2-3,6,9-15H2,1H3,(H,24,25)