(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-phenylpropanoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-phenylpropanoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H19NO5/c1-14(23)22-17-8-9-18-16(11-21(25)27-19(18)12-17)13-26-20(24)10-7-15-5-3-2-4-6-15/h2-6,8-9,11-12H,7,10,13H2,1H3,(H,22,23)