4-[4-[1-(4-hexoxyphenyl)piperidin-4-yl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[1-(4-hexoxyphenyl)piperidin-4-yl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[1-(4-hexoxyphenyl)-4-piperidyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[1-(4-hexoxyphenyl)-4-piperidinyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[1-(4-hexoxyphenyl)piperidin-4-yl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[1-(4-hexoxyphenyl)-4-piperidyl]piperazino]benzoic acid Formula: C28H39N3O3 MolecularWeight: 465.62756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2CCC(CC2)N3CCN(CC3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2CCC(CC2)N3CCN(CC3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C28H39N3O3/c1-2-3-4-5-22-34-27-12-10-25(11-13-27)29-16-14-26(15-17-29)31-20-18-30(19-21-31)24-8-6-23(7-9-24)28(32)33/h6-13,26H,2-5,14-22H2,1H3,(H,32,33)