butyl 3-[4-(4-hexadecylpiperazin-1-yl)phenyl]propanoate

Systemtic Name: butyl 3-[4-(4-hexadecylpiperazin-1-yl)phenyl]propanoate Openeye Name: butyl 3-[4-(4-hexadecylpiperazin-1-yl)phenyl]propanoate CAS Name: 3-[4-(4-hexadecyl-1-piperazinyl)phenyl]propanoic acid butyl ester IUPAC Name: butyl 3-[4-(4-hexadecylpiperazin-1-yl)phenyl]propanoate Traditional Name: 3-[4-(4-cetylpiperazino)phenyl]propionic acid butyl ester Formula: C33H58N2O2 MolecularWeight: 514.82582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H58N2O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-25-34-26-28-35(29-27-34)32-22-19-31(20-23-32)21-24-33(36)37-30-6-4-2/h19-20,22-23H,3-18,21,24-30H2,1-2H3