4-(4-hexadecylpiperazin-1-yl)benzoic acid

Systemtic Name: 4-(4-hexadecylpiperazin-1-yl)benzoic acid Openeye Name: 4-(4-hexadecylpiperazin-1-yl)benzoic acid CAS Name: 4-(4-hexadecyl-1-piperazinyl)benzoic acid IUPAC Name: 4-(4-hexadecylpiperazin-1-yl)benzoic acid Traditional Name: 4-(4-cetylpiperazino)benzoic acid Formula: C27H46N2O2 MolecularWeight: 430.66634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C27H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-21-23-29(24-22-28)26-18-16-25(17-19-26)27(30)31/h16-19H,2-15,20-24H2,1H3,(H,30,31)