(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-chlorophenyl)carbonylamino]propanoate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-chlorophenyl)carbonylamino]propanoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 3-[(4-chlorobenzoyl)amino]propanoate CAS Name: 3-[[(4-chlorophenyl)-oxomethyl]amino]propanoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 3-[(4-chlorobenzoyl)amino]propanoate Traditional Name: 3-[(4-chlorobenzoyl)amino]propionic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C21H18ClNO6 MolecularWeight: 415.82372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)CCNC(=O)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)CCNC(=O)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C21H18ClNO6/c1-12-17(24)7-6-16-14(10-19(26)29-20(12)16)11-28-18(25)8-9-23-21(27)13-2-4-15(22)5-3-13/h2-7,10,24H,8-9,11H2,1H3,(H,23,27)