4-[4-[1-(5-methoxypentoxy)-4-phenyl-cyclohexa-2,5-dien-1-yl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[1-(5-methoxypentoxy)-4-phenyl-cyclohexa-2,5-dien-1-yl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[1-(5-methoxypentoxy)-4-phenyl-cyclohexa-2,5-dien-1-yl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[1-(5-methoxypentoxy)-4-phenyl-1-cyclohexa-2,5-dienyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[1-(5-methoxypentoxy)-4-phenylcyclohexa-2,5-dien-1-yl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[1-(5-methoxypentoxy)-4-phenyl-cyclohexa-2,5-dien-1-yl]piperazino]benzoic acid Formula: C29H36N2O4 MolecularWeight: 476.60714

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)N3CCN(CC3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)N3CCN(CC3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C29H36N2O4/c1-34-22-6-3-7-23-35-29(16-14-25(15-17-29)24-8-4-2-5-9-24)31-20-18-30(19-21-31)27-12-10-26(11-13-27)28(32)33/h2,4-5,8-17,25H,3,6-7,18-23H2,1H3,(H,32,33)