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

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate Openeye Name: (6-chloro-7-ethyl-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-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,5-dimethylbenzoyl)amino]acetic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C23H22ClNO5 MolecularWeight: 427.87748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClNO5/c1-4-15-8-20-18(10-19(15)24)17(9-21(26)30-20)12-29-22(27)11-25-23(28)16-6-13(2)5-14(3)7-16/h5-10H,4,11-12H2,1-3H3,(H,25,28)