[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-oxidanyl-benzoate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-oxidanyl-benzoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-chloro-5-ethoxy-4-hydroxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-hydroxybenzoic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-hydroxy-benzoic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H22ClNO5 MolecularWeight: 391.84538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC=C)C)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC=C)C)Cl)O

InChI

InChI=1S/C20H22ClNO5/c1-5-7-22-12(3)8-15(13(22)4)17(23)11-27-20(25)14-9-16(21)19(24)18(10-14)26-6-2/h5,8-10,24H,1,6-7,11H2,2-4H3