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

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: (6-isopropyl-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 (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(p-toluoylamino)butyric acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C27H31NO5 MolecularWeight: 449.53874

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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)C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO5/c1-15(2)21-13-22-20(12-24(29)33-23(22)11-18(21)6)14-32-27(31)25(16(3)4)28-26(30)19-9-7-17(5)8-10-19/h7-13,15-16,25H,14H2,1-6H3,(H,28,30)