propan-2-yl (2S,3R)-2-[[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-pyridin-2-yl]methyl]-4-oxidanylidene-3-prop-2-enoxy-butanoate

Systemtic Name: propan-2-yl (2S,3R)-2-[[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-pyridin-2-yl]methyl]-4-oxidanylidene-3-prop-2-enoxy-butanoate Openeye Name: isopropyl (2S,3R)-3-allyloxy-2-[[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridyl]methyl]-4-oxo-butanoate CAS Name: (2S,3R)-2-[[6-(2,5-dimethyl-1-pyrrolyl)-4-methyl-2-pyridinyl]methyl]-4-oxo-3-prop-2-enoxybutanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S,3R)-2-[[6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridin-2-yl]methyl]-4-oxo-3-prop-2-enoxybutanoate Traditional Name: (2S,3R)-3-allyloxy-2-[[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridyl]methyl]-4-keto-butyric acid isopropyl ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC(=CC(=N2)CC(C(C=O)OCC=C)C(=O)OC(C)C)C)C

Isomeric SMILES

CC1=CC=C(N1C2=CC(=CC(=N2)C[C@@H]([C@H](C=O)OCC=C)C(=O)OC(C)C)C)C

InChI

InChI=1S/C23H30N2O4/c1-7-10-28-21(14-26)20(23(27)29-15(2)3)13-19-11-16(4)12-22(24-19)25-17(5)8-9-18(25)6/h7-9,11-12,14-15,20-21H,1,10,13H2,2-6H3/t20-,21-/m0/s1