[2-acetamido-4-[(1E,3S)-3-ethenyl-3,7-dimethyl-octa-1,6-dienyl]phenyl] ethanoate

Systemtic Name: [2-acetamido-4-[(1E,3S)-3-ethenyl-3,7-dimethyl-octa-1,6-dienyl]phenyl] ethanoate Openeye Name: [2-acetamido-4-[(1E,3S)-3,7-dimethyl-3-vinyl-octa-1,6-dienyl]phenyl] acetate CAS Name: acetic acid [2-acetamido-4-[(1E,3S)-3-ethenyl-3,7-dimethylocta-1,6-dienyl]phenyl] ester IUPAC Name: [2-acetamido-4-[(1E,3S)-3-ethenyl-3,7-dimethylocta-1,6-dienyl]phenyl] acetate Traditional Name: acetic acid [2-acetamido-4-[(1E,3S)-3,7-dimethyl-3-vinyl-octa-1,6-dienyl]phenyl] ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C)(C=C)C=CC1=CC(=C(C=C1)OC(=O)C)NC(=O)C)C

Isomeric SMILES

CC(=CCC[C@@](C)(C=C)/C=C/C1=CC(=C(C=C1)OC(=O)C)NC(=O)C)C

InChI

InChI=1S/C22H29NO3/c1-7-22(6,13-8-9-16(2)3)14-12-19-10-11-21(26-18(5)25)20(15-19)23-17(4)24/h7,9-12,14-15H,1,8,13H2,2-6H3,(H,23,24)/b14-12+/t22-/m1/s1