[(2R)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [(1R)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 3-(ethoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(ethoxymethyl)-2-benzofurancarboxylic acid [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(ethoxymethyl)coumarilic acid [(1R)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(OC2=CC=CC=C21)C(=O)OC(C)C(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CCOCC1=C(OC2=CC=CC=C21)C(=O)O[C@H](C)C(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C22H23NO5/c1-4-26-13-18-17-10-5-6-11-19(17)28-20(18)22(25)27-15(3)21(24)23-16-9-7-8-14(2)12-16/h5-12,15H,4,13H2,1-3H3,(H,23,24)/t15-/m1/s1