4-[4-[4-(4-propoxycyclohexyl)cyclohexyl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[4-(4-propoxycyclohexyl)cyclohexyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[4-(4-propoxycyclohexyl)cyclohexyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[4-(4-propoxycyclohexyl)cyclohexyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[4-(4-propoxycyclohexyl)cyclohexyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[4-(4-propoxycyclohexyl)cyclohexyl]piperazino]benzoic acid Formula: C26H40N2O3 MolecularWeight: 428.6074

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CCC(CC1)C2CCC(CC2)N3CCN(CC3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCOC1CCC(CC1)C2CCC(CC2)N3CCN(CC3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H40N2O3/c1-2-19-31-25-13-7-21(8-14-25)20-3-9-23(10-4-20)27-15-17-28(18-16-27)24-11-5-22(6-12-24)26(29)30/h5-6,11-12,20-21,23,25H,2-4,7-10,13-19H2,1H3,(H,29,30)