tert-butyl (3S)-3-(2-chloranylpyridin-3-yl)-3-(2,3-dihydro-1-benzofuran-6-yl)propanoate

Systemtic Name: tert-butyl (3S)-3-(2-chloranylpyridin-3-yl)-3-(2,3-dihydro-1-benzofuran-6-yl)propanoate Openeye Name: tert-butyl (3S)-3-(2-chloro-3-pyridyl)-3-(2,3-dihydrobenzofuran-6-yl)propanoate CAS Name: (3S)-3-(2-chloro-3-pyridinyl)-3-(2,3-dihydrobenzofuran-6-yl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(2-chloropyridin-3-yl)-3-(2,3-dihydro-1-benzofuran-6-yl)propanoate Traditional Name: (3S)-3-(2-chloro-3-pyridyl)-3-coumaran-6-yl-propionic acid tert-butyl ester Formula: C20H22ClNO3 MolecularWeight: 359.84658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C1=CC2=C(CCO2)C=C1)C3=C(N=CC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@H](C1=CC2=C(CCO2)C=C1)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C20H22ClNO3/c1-20(2,3)25-18(23)12-16(15-5-4-9-22-19(15)21)14-7-6-13-8-10-24-17(13)11-14/h4-7,9,11,16H,8,10,12H2,1-3H3/t16-/m0/s1