[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 5-methoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-methoxy-3-methyl-2-benzofurancarboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-methoxy-3-methyl-coumarilic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=C(C2=C(O1)C=CC(=C2)OC)C

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=C(C2=C(O1)C=CC(=C2)OC)C

InChI

InChI=1S/C17H21NO5/c1-5-8-18-16(19)11(3)22-17(20)15-10(2)13-9-12(21-4)6-7-14(13)23-15/h6-7,9,11H,5,8H2,1-4H3,(H,18,19)/t11-/m0/s1