4-[4-(2-piperidin-1-ylphenyl)heptyl]benzoic acid

Systemtic Name: 4-[4-(2-piperidin-1-ylphenyl)heptyl]benzoic acid Openeye Name: 4-[4-[2-(1-piperidyl)phenyl]heptyl]benzoic acid CAS Name: 4-[4-[2-(1-piperidinyl)phenyl]heptyl]benzoic acid IUPAC Name: 4-[4-(2-piperidin-1-ylphenyl)heptyl]benzoic acid Traditional Name: 4-[4-(2-piperidinophenyl)heptyl]benzoic acid Formula: C25H33NO2 MolecularWeight: 379.53502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCC1=CC=C(C=C1)C(=O)O)C2=CC=CC=C2N3CCCCC3

Isomeric SMILES

CCCC(CCCC1=CC=C(C=C1)C(=O)O)C2=CC=CC=C2N3CCCCC3

InChI

InChI=1S/C25H33NO2/c1-2-9-21(11-8-10-20-14-16-22(17-15-20)25(27)28)23-12-4-5-13-24(23)26-18-6-3-7-19-26/h4-5,12-17,21H,2-3,6-11,18-19H2,1H3,(H,27,28)