2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethyl benzoate

Systemtic Name: 2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethyl benzoate Openeye Name: 2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethyl benzoate CAS Name: benzoic acid 2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethyl benzoate Traditional Name: benzoic acid 2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazino]ethyl ester Formula: C28H42N2O2 MolecularWeight: 438.64528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CCN1CCN(CC1)CCOC(=O)C2=CC=CC=C2)C)C)C

Isomeric SMILES

CC(=CCC/C(=C/CC/C(=C/CN1CCN(CC1)CCOC(=O)C2=CC=CC=C2)/C)/C)C

InChI

InChI=1S/C28H42N2O2/c1-24(2)10-8-11-25(3)12-9-13-26(4)16-17-29-18-20-30(21-19-29)22-23-32-28(31)27-14-6-5-7-15-27/h5-7,10,12,14-16H,8-9,11,13,17-23H2,1-4H3/b25-12+,26-16+