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

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)ethanoate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(3,4-dimethylphenyl)acetate CAS Name: 2-(3,4-dimethylphenyl)acetic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate Traditional Name: 2-(3,4-dimethylphenyl)acetic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(=O)OCC(=O)C2=C(N(C(=C2)C)C3CC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC(=O)OCC(=O)C2=C(N(C(=C2)C)C3CC3)C)C

InChI

InChI=1S/C21H25NO3/c1-13-5-6-17(9-14(13)2)11-21(24)25-12-20(23)19-10-15(3)22(16(19)4)18-7-8-18/h5-6,9-10,18H,7-8,11-12H2,1-4H3