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

Systemtic Name: [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] hexa-2,4-dienoate Openeye Name: [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] hexa-2,4-dienoate CAS Name: hexa-2,4-dienoic acid [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] hexa-2,4-dienoate Traditional Name: hexa-2,4-dienoic acid [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H25NO3 MolecularWeight: 351.4388

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO3/c1-6-7-8-9-22(25)26-14-21(24)20-13-17(4)23(18(20)5)19-11-10-15(2)16(3)12-19/h6-13H,14H2,1-5H3