[(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1R)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 5-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-chloro-3-methyl-2-benzofurancarboxylic acid [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-methyl-coumarilic acid [(1R)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H22ClNO4 MolecularWeight: 363.83528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OC(C)C(=O)NC3CCCCC3

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)O[C@H](C)C(=O)NC3CCCCC3

InChI

InChI=1S/C19H22ClNO4/c1-11-15-10-13(20)8-9-16(15)25-17(11)19(23)24-12(2)18(22)21-14-6-4-3-5-7-14/h8-10,12,14H,3-7H2,1-2H3,(H,21,22)/t12-/m1/s1