2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate

Systemtic Name: 2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate Openeye Name: 2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic 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 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazino]ethyl ester Formula: C31H48N2O5 MolecularWeight: 528.72322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H48N2O5/c1-24(2)10-8-11-25(3)12-9-13-26(4)14-15-32-16-18-33(19-17-32)20-21-38-31(34)27-22-28(35-5)30(37-7)29(23-27)36-6/h10,12,14,22-23H,8-9,11,13,15-21H2,1-7H3/b25-12+,26-14+