[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxidanylidene-ethyl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxidanylidene-ethyl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [2-[1-(benzofuran-2-yl)ethylamino]-2-oxo-ethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [2-[1-(2-benzofuranyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid [2-[1-(benzofuran-2-yl)ethylamino]-2-keto-ethyl] ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NC(C)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NC(C)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C25H28N2O5/c1-15(2)23(27-24(29)19-10-7-8-16(3)12-19)25(30)31-14-22(28)26-17(4)21-13-18-9-5-6-11-20(18)32-21/h5-13,15,17,23H,14H2,1-4H3,(H,26,28)(H,27,29)