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4-(1-piperazin-1-ylheptadecyl)benzoic acid

4-(1-piperazin-1-ylheptadecyl)benzoic acid

Systemtic Name:4-(1-piperazin-1-ylheptadecyl)benzoic acid
Openeye Name:4-(1-piperazin-1-ylheptadecyl)benzoic acid
CAS Name:4-[1-(1-piperazinyl)heptadecyl]benzoic acid
IUPAC Name:4-(1-piperazin-1-ylheptadecyl)benzoic acid
Traditional Name:4-(1-piperazinoheptadecyl)benzoic acid
Formula: C28H48N2O2
MolecularWeight: 444.69292
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=CC=C(C=C1)C(=O)O)N2CCNCC2


Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=CC=C(C=C1)C(=O)O)N2CCNCC2


InChI

InChI=1S/C28H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27(30-23-21-29-22-24-30)25-17-19-26(20-18-25)28(31)32/h17-20,27,29H,2-16,21-24H2,1H3,(H,31,32)


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