(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-methylphenyl)carbonylamino]ethanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-methylphenyl)carbonylamino]ethanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-[(4-methylbenzoyl)amino]acetate CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]acetic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(4-methylbenzoyl)amino]acetate Traditional Name: 2-(p-toluoylamino)acetic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H21NO5 MolecularWeight: 379.40584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO5/c1-13-4-6-16(7-5-13)22(26)23-11-21(25)27-12-17-10-20(24)28-19-9-15(3)14(2)8-18(17)19/h4-10H,11-12H2,1-3H3,(H,23,26)