(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: (2-ethoxycarbonylbenzofuran-3-yl)methyl 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid (2-ethoxycarbonyl-3-benzofuranyl)methyl ester IUPAC Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid (2-carbethoxybenzofuran-3-yl)methyl ester Formula: C20H18ClNO5 MolecularWeight: 387.81362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3=C(N=C(C=C3C)C)Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3=C(N=C(C=C3C)C)Cl

InChI

InChI=1S/C20H18ClNO5/c1-4-25-20(24)17-14(13-7-5-6-8-15(13)27-17)10-26-19(23)16-11(2)9-12(3)22-18(16)21/h5-9H,4,10H2,1-3H3