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

Systemtic Name: [(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1R)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 5-ethoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-ethoxy-3-methyl-2-benzofurancarboxylic acid [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-ethoxy-3-methyl-coumarilic acid [(1R)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OC(C)C(=O)NC3CCCCC3

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)O[C@H](C)C(=O)NC3CCCCC3

InChI

InChI=1S/C21H27NO5/c1-4-25-16-10-11-18-17(12-16)13(2)19(27-18)21(24)26-14(3)20(23)22-15-8-6-5-7-9-15/h10-12,14-15H,4-9H2,1-3H3,(H,22,23)/t14-/m1/s1