[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] (2E,4E)-hexa-2,4-dienoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] (2E,4E)-hexa-2,4-dienoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate Traditional Name: (2E,4E)-hexa-2,4-dienoic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)OCC(=O)C1=CC=C(C=C1)NC(=O)CC(C)C

Isomeric SMILES

C/C=C/C=C/C(=O)OCC(=O)C1=CC=C(C=C1)NC(=O)CC(C)C

InChI

InChI=1S/C19H23NO4/c1-4-5-6-7-19(23)24-13-17(21)15-8-10-16(11-9-15)20-18(22)12-14(2)3/h4-11,14H,12-13H2,1-3H3,(H,20,22)/b5-4+,7-6+