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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(p-toluoylamino)butyric acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C24H24ClNO5 MolecularWeight: 441.90406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

InChI

InChI=1S/C24H24ClNO5/c1-13(2)22(26-23(28)16-7-5-14(3)6-8-16)24(29)30-12-17-10-21(27)31-20-9-15(4)19(25)11-18(17)20/h5-11,13,22H,12H2,1-4H3,(H,26,28)