[(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-(6-oxidanyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-(6-oxidanyl-1-benzofuran-3-yl)ethanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 2-(6-hydroxybenzofuran-3-yl)acetate CAS Name: 2-(6-hydroxy-3-benzofuranyl)acetic acid [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-hydroxybenzofuran-3-yl)acetic acid [(1S)-2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)OC(=O)CC2=COC3=C2C=CC(=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)OC(=O)CC2=COC3=C2C=CC(=C3)O

InChI

InChI=1S/C21H21NO5/c1-13-3-5-15(6-4-13)11-22-21(25)14(2)27-20(24)9-16-12-26-19-10-17(23)7-8-18(16)19/h3-8,10,12,14,23H,9,11H2,1-2H3,(H,22,25)/t14-/m0/s1