(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-benzamidopropanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-benzamidopropanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 3-benzamidopropanoate CAS Name: 3-benzamidopropanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 3-benzamidopropanoate Traditional Name: 3-benzamidopropionic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H21NO5/c1-14-10-18-17(12-21(25)28-19(18)11-15(14)2)13-27-20(24)8-9-23-22(26)16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3,(H,23,26)