(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-acetamidopropanoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-acetamidopropanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 3-acetamidopropanoate CAS Name: 3-acetamidopropanoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 3-acetamidopropanoate Traditional Name: 3-acetamidopropionic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C16H17NO5 MolecularWeight: 303.30988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)C

InChI

InChI=1S/C16H17NO5/c1-10-3-4-13-12(8-16(20)22-14(13)7-10)9-21-15(19)5-6-17-11(2)18/h3-4,7-8H,5-6,9H2,1-2H3,(H,17,18)