pyridin-2-yl 2-(5-chloranyl-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-butanoate

Systemtic Name: pyridin-2-yl 2-(5-chloranyl-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-butanoate Openeye Name: 2-pyridyl 2-(5-chloro-2,3-dihydrobenzofuran-2-yl)-2-methyl-butanoate CAS Name: 2-(5-chloro-2,3-dihydrobenzofuran-2-yl)-2-methylbutanoic acid 2-pyridinyl ester IUPAC Name: pyridin-2-yl 2-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-2-methylbutanoate Traditional Name: 2-(5-chlorocoumaran-2-yl)-2-methyl-butyric acid 2-pyridyl ester Formula: C18H18ClNO3 MolecularWeight: 331.79342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C1CC2=C(O1)C=CC(=C2)Cl)C(=O)OC3=CC=CC=N3

Isomeric SMILES

CCC(C)(C1CC2=C(O1)C=CC(=C2)Cl)C(=O)OC3=CC=CC=N3

InChI

InChI=1S/C18H18ClNO3/c1-3-18(2,17(21)23-16-6-4-5-9-20-16)15-11-12-10-13(19)7-8-14(12)22-15/h4-10,15H,3,11H2,1-2H3