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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: (7-methyl-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-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C24H25NO5 MolecularWeight: 407.459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C(C)C)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C(C)C)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C24H25NO5/c1-14(2)22(25-23(27)17-7-5-6-15(3)10-17)24(28)29-13-18-12-21(26)30-20-11-16(4)8-9-19(18)20/h5-12,14,22H,13H2,1-4H3,(H,25,27)