[(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 4-methylbenzoate

Systemtic Name: [(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 4-methylbenzoate Openeye Name: [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC(C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C

InChI

InChI=1S/C19H21NO4/c1-10-6-8-15(9-7-10)19(23)24-14(5)18(22)17-11(2)16(13(4)21)12(3)20-17/h6-9,14,20H,1-5H3/t14-/m1/s1