(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C25H26N2O6 MolecularWeight: 450.48374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)C

InChI

InChI=1S/C25H26N2O6/c1-14(2)23(27-24(30)17-7-5-6-15(3)10-17)25(31)32-13-18-11-22(29)33-21-12-19(26-16(4)28)8-9-20(18)21/h5-12,14,23H,13H2,1-4H3,(H,26,28)(H,27,30)