2-[[(2E,6E)-3,7,11-trimethyl-1-oxidanyl-dodeca-2,6,10-trien-2-yl]amino]benzoate

Systemtic Name: 2-[[(2E,6E)-3,7,11-trimethyl-1-oxidanyl-dodeca-2,6,10-trien-2-yl]amino]benzoate Openeye Name: 2-[[(1E,5E)-1-(hydroxymethyl)-2,6,10-trimethyl-undeca-1,5,9-trienyl]amino]benzoate CAS Name: 2-[[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-2-yl]amino]benzoate IUPAC Name: 2-[[(2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-2-yl]amino]benzoate Traditional Name: 2-[[(1E,5E)-2,6,10-trimethyl-1-methylol-undeca-1,5,9-trienyl]amino]benzoate Formula: C22H30NO3- MolecularWeight: 356.4785

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=C(CO)NC1=CC=CC=C1C(=O)[O-])C)C)C

Isomeric SMILES

CC(=CCC/C(=C/CC/C(=C(\CO)/NC1=CC=CC=C1C(=O)[O-])/C)/C)C

InChI

InChI=1S/C22H31NO3/c1-16(2)9-7-10-17(3)11-8-12-18(4)21(15-24)23-20-14-6-5-13-19(20)22(25)26/h5-6,9,11,13-14,23-24H,7-8,10,12,15H2,1-4H3,(H,25,26)/p-1/b17-11+,21-18+