methanesulfonate; [2-[2-(propan-2-ylamino)ethanoyl]phenyl] (3E)-3,7-dimethylocta-3,6-dienoate

Systemtic Name: methanesulfonate; [2-[2-(propan-2-ylamino)ethanoyl]phenyl] (3E)-3,7-dimethylocta-3,6-dienoate Openeye Name: [2-[2-(isopropylamino)acetyl]phenyl] (3E)-3,7-dimethylocta-3,6-dienoate; methanesulfonate CAS Name: (3E)-3,7-dimethylocta-3,6-dienoic acid [2-[1-oxo-2-(propan-2-ylamino)ethyl]phenyl] ester; methanesulfonate IUPAC Name: methanesulfonate; [2-[2-(propan-2-ylamino)acetyl]phenyl] (3E)-3,7-dimethylocta-3,6-dienoate Traditional Name: (3E)-3,7-dimethylocta-3,6-dienoic acid [2-[2-(isopropylamino)acetyl]phenyl] ester mesylate Formula: C22H32NO6S- MolecularWeight: 438.55758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(=O)C1=CC=CC=C1OC(=O)CC(=CCC=C(C)C)C.CS(=O)(=O)[O-]

Isomeric SMILES

CC(C)NCC(=O)C1=CC=CC=C1OC(=O)C/C(=C/CC=C(C)C)/C.CS(=O)(=O)[O-]

InChI

InChI=1S/C21H29NO3.CH4O3S/c1-15(2)9-8-10-17(5)13-21(24)25-20-12-7-6-11-18(20)19(23)14-22-16(3)4;1-5(2,3)4/h6-7,9-12,16,22H,8,13-14H2,1-5H3;1H3,(H,2,3,4)/p-1/b17-10+;