[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-(6,7-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(6,7-dimethyl-3-benzofuranyl)acetic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6,7-dimethylbenzofuran-3-yl)acetic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)OC(C)C(=O)NC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)O[C@H](C)C(=O)NC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C22H20N2O4/c1-13-4-9-19-17(12-27-21(19)14(13)2)10-20(25)28-15(3)22(26)24-18-7-5-16(11-23)6-8-18/h4-9,12,15H,10H2,1-3H3,(H,24,26)/t15-/m1/s1