[2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] (E)-but-2-enoate

Systemtic Name: [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] (E)-but-2-enoate Openeye Name: [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic 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] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C20H23NO3 MolecularWeight: 325.40152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3/c1-6-7-20(23)24-12-19(22)18-11-15(4)21(16(18)5)17-9-8-13(2)14(3)10-17/h6-11H,12H2,1-5H3/b7-6+