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

Systemtic Name: [(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 2-methylbenzoate Openeye Name: [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 2-methylbenzoate CAS Name: 2-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] 2-methylbenzoate Traditional Name: 2-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=CC=C1C(=O)OC(C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)O[C@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C

InChI

InChI=1S/C19H21NO4/c1-10-8-6-7-9-15(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