2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenyl]ethanoic acid Openeye Name: 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenyl]acetic acid CAS Name: 2-[4-(4-tert-butylcyclohexyl)-3-(4-butyl-1-piperazinyl)phenyl]acetic acid IUPAC Name: 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenyl]acetic acid Traditional Name: 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazino)phenyl]acetic acid Formula: C26H42N2O2 MolecularWeight: 414.62388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42N2O2/c1-5-6-13-27-14-16-28(17-15-27)24-18-20(19-25(29)30)7-12-23(24)21-8-10-22(11-9-21)26(2,3)4/h7,12,18,21-22H,5-6,8-11,13-17,19H2,1-4H3,(H,29,30)