[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 2-phenoxypyridine-3-carboxylate

Systemtic Name: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 2-phenoxypyridine-3-carboxylate Openeye Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 2-phenoxypyridine-3-carboxylate CAS Name: 2-phenoxy-3-pyridinecarboxylic acid [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-phenoxypyridine-3-carboxylate Traditional Name: 2-phenoxynicotinic acid [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)OC(=O)C2=C(N=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)OC(=O)C2=C(N=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O5/c1-13-19(15(3)26)14(2)25-20(13)21(27)16(4)29-23(28)18-11-8-12-24-22(18)30-17-9-6-5-7-10-17/h5-12,16,25H,1-4H3/t16-/m0/s1