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

Systemtic Name: 3-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenyl]propanoic acid Openeye Name: 3-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenyl]propanoic acid CAS Name: 3-[4-(4-tert-butylcyclohexyl)-3-(4-butyl-1-piperazinyl)phenyl]propanoic acid IUPAC Name: 3-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenyl]propanoic acid Traditional Name: 3-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazino)phenyl]propionic acid Formula: C27H44N2O2 MolecularWeight: 428.65046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H44N2O2/c1-5-6-15-28-16-18-29(19-17-28)25-20-21(8-14-26(30)31)7-13-24(25)22-9-11-23(12-10-22)27(2,3)4/h7,13,20,22-23H,5-6,8-12,14-19H2,1-4H3,(H,30,31)