(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,5-dimethylphenyl)-oxomethyl]amino]acetic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,5-dimethylbenzoyl)amino]acetic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClNO5/c1-12-4-13(2)6-15(5-12)22(27)24-10-21(26)28-11-16-8-20(25)29-19-7-14(3)18(23)9-17(16)19/h4-9H,10-11H2,1-3H3,(H,24,27)