[(2R)-1-oxidanylidene-1-(propylamino)propan-2-yl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(propylamino)propan-2-yl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(propylamino)ethyl] 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid [(2R)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(propylamino)propan-2-yl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid [(1R)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=C(C2=CC=CC=C2O1)COC3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)[C@@H](C)OC(=O)C1=C(C2=CC=CC=C2O1)COC3=CC=CC=C3

InChI

InChI=1S/C22H23NO5/c1-3-13-23-21(24)15(2)27-22(25)20-18(14-26-16-9-5-4-6-10-16)17-11-7-8-12-19(17)28-20/h4-12,15H,3,13-14H2,1-2H3,(H,23,24)/t15-/m1/s1