(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C(C)C)NC(=O)C3=CC(=CC=C3)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C(C)C)NC(=O)C3=CC(=CC=C3)C)C

InChI

InChI=1S/C25H27NO5/c1-14(2)22(26-24(28)18-8-6-7-15(3)11-18)25(29)30-13-19-12-21(27)31-23-17(5)16(4)9-10-20(19)23/h6-12,14,22H,13H2,1-5H3,(H,26,28)