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

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-methylphenyl)carbonylamino]ethanoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 2-[(4-methylbenzoyl)amino]acetate CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]acetic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 2-[(4-methylbenzoyl)amino]acetate Traditional Name: 2-(p-toluoylamino)acetic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CNC(=O)C3=CC=C(C=C3)C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CNC(=O)C3=CC=C(C=C3)C)Cl

InChI

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