[2-[1-(3-methoxy-3-oxidanylidene-propyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-methylbenzoate

Systemtic Name: [2-[1-(3-methoxy-3-oxidanylidene-propyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-methylbenzoate Openeye Name: [2-[1-(3-methoxy-3-oxo-propyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [2-[1-(3-methoxy-3-oxopropyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-methoxy-3-oxopropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [2-keto-2-[1-(3-keto-3-methoxy-propyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCC(=O)C2=C(N(C(=C2)C)CCC(=O)OC)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC(=O)C2=C(N(C(=C2)C)CCC(=O)OC)C

InChI

InChI=1S/C20H23NO5/c1-13-7-5-6-8-16(13)20(24)26-12-18(22)17-11-14(2)21(15(17)3)10-9-19(23)25-4/h5-8,11H,9-10,12H2,1-4H3