[(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-1-oxidanylidene-propan-2-yl] 6-methylpyridine-3-carboxylate

Systemtic Name: [(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-1-oxidanylidene-propan-2-yl] 6-methylpyridine-3-carboxylate Openeye Name: [(1S)-2-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-1-methyl-2-oxo-ethyl] 6-methylpyridine-3-carboxylate CAS Name: 6-methyl-3-pyridinecarboxylic acid [(2S)-1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl] 6-methylpyridine-3-carboxylate Traditional Name: 6-methylnicotinic acid [(1S)-2-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)OC(C)C(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)O[C@@H](C)C(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C

InChI

InChI=1S/C21H22N2O4/c1-13-7-8-17(11-22-13)21(25)27-16(4)20(24)19-10-14(2)23(15(19)3)12-18-6-5-9-26-18/h5-11,16H,12H2,1-4H3/t16-/m0/s1