[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] (2E,4E)-hexa-2,4-dienoate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] (2E,4E)-hexa-2,4-dienoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate Traditional Name: (2E,4E)-hexa-2,4-dienoic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C=CC=CC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C=C/C

InChI

InChI=1S/C18H23NO3/c1-3-5-7-9-18(21)22-14-17(20)19-16-12-10-15(11-13-16)8-6-4-2/h3,5,7,9-13H,4,6,8,14H2,1-2H3,(H,19,20)/b5-3+,9-7+