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

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-chlorophenyl)carbonylamino]propanoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 3-[(4-chlorobenzoyl)amino]propanoate CAS Name: 3-[[(4-chlorophenyl)-oxomethyl]amino]propanoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 3-[(4-chlorobenzoyl)amino]propanoate Traditional Name: 3-[(4-chlorobenzoyl)amino]propionic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C20H16ClNO6 MolecularWeight: 401.79714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)Cl

InChI

InChI=1S/C20H16ClNO6/c21-14-3-1-12(2-4-14)20(26)22-8-7-18(24)27-11-13-9-19(25)28-17-10-15(23)5-6-16(13)17/h1-6,9-10,23H,7-8,11H2,(H,22,26)