[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] hexa-2,4-dienoate

Systemtic Name: [2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] hexa-2,4-dienoate Openeye Name: [2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-oxo-ethyl] hexa-2,4-dienoate CAS Name: hexa-2,4-dienoic acid [2-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl] hexa-2,4-dienoate Traditional Name: hexa-2,4-dienoic acid [2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)OCC(=O)C1=C(N(C(=C1)C)C2=CC=C(C=C2)C)C

Isomeric SMILES

CC=CC=CC(=O)OCC(=O)C1=C(N(C(=C1)C)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C21H23NO3/c1-5-6-7-8-21(24)25-14-20(23)19-13-16(3)22(17(19)4)18-11-9-15(2)10-12-18/h5-13H,14H2,1-4H3