[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 5-ethoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-ethoxy-3-methyl-2-benzofurancarboxylic acid [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-ethoxy-3-methyl-coumarilic acid [(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C23H23NO5 MolecularWeight: 393.43242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)O[C@@H](C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C23H23NO5/c1-3-27-17-11-12-19-18(13-17)14(2)20(28-19)23(26)29-21(15-7-5-4-6-8-15)22(25)24-16-9-10-16/h4-8,11-13,16,21H,3,9-10H2,1-2H3,(H,24,25)/t21-/m0/s1