4-[4-[4-(7-methoxyheptoxy)-3,5-dimethyl-phenyl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[4-(7-methoxyheptoxy)-3,5-dimethyl-phenyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[4-(7-methoxyheptoxy)-3,5-dimethyl-phenyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[4-(7-methoxyheptoxy)-3,5-dimethylphenyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[4-(7-methoxyheptoxy)-3,5-dimethylphenyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[4-(7-methoxyheptoxy)-3,5-dimethyl-phenyl]piperazino]benzoic acid Formula: C27H38N2O4 MolecularWeight: 454.60162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCCCCCCOC)C)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OCCCCCCCOC)C)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C27H38N2O4/c1-21-19-25(20-22(2)26(21)33-18-8-6-4-5-7-17-32-3)29-15-13-28(14-16-29)24-11-9-23(10-12-24)27(30)31/h9-12,19-20H,4-8,13-18H2,1-3H3,(H,30,31)