(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3-methylphenyl)carbonylamino]ethanoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3-methylphenyl)carbonylamino]ethanoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 2-[(3-methylbenzoyl)amino]acetate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]acetic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-[(3-methylbenzoyl)amino]acetate Traditional Name: 2-(m-toluoylamino)acetic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CNC(=O)C3=CC(=CC=C3)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CNC(=O)C3=CC(=CC=C3)C)O

InChI

InChI=1S/C22H21NO6/c1-3-14-8-17-16(9-20(25)29-19(17)10-18(14)24)12-28-21(26)11-23-22(27)15-6-4-5-13(2)7-15/h4-10,24H,3,11-12H2,1-2H3,(H,23,27)