[(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [(1S)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl] 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-2-benzofurancarboxylic acid [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid [(1S)-2-cumidino-2-keto-1-methyl-ethyl] ester Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3O2)COC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)OC(=O)C2=C(C3=CC=CC=C3O2)COC

InChI

InChI=1S/C23H25NO5/c1-14(2)16-9-11-17(12-10-16)24-22(25)15(3)28-23(26)21-19(13-27-4)18-7-5-6-8-20(18)29-21/h5-12,14-15H,13H2,1-4H3,(H,24,25)/t15-/m0/s1