(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-acetamido-3-(4-chlorophenyl)propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NC(CC(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)Cl

InChI

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