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4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)benzoic acid

4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)benzoic acid

Systemtic Name:4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)benzoic acid
Openeye Name:4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)benzoic acid
CAS Name:4-(4-tert-butylcyclohexyl)-3-(4-butyl-1-piperazinyl)benzoic acid
IUPAC Name:4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)benzoic acid
Traditional Name:4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazino)benzoic acid
Formula: C25H40N2O2
MolecularWeight: 400.5973
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=C(C=CC(=C2)C(=O)O)C3CCC(CC3)C(C)(C)C


Isomeric SMILES

CCCCN1CCN(CC1)C2=C(C=CC(=C2)C(=O)O)C3CCC(CC3)C(C)(C)C


InChI

InChI=1S/C25H40N2O2/c1-5-6-13-26-14-16-27(17-15-26)23-18-20(24(28)29)9-12-22(23)19-7-10-21(11-8-19)25(2,3)4/h9,12,18-19,21H,5-8,10-11,13-17H2,1-4H3,(H,28,29)


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