(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(2-phenylethanoylamino)propanoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(2-phenylethanoylamino)propanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 3-[(2-phenylacetyl)amino]propanoate CAS Name: 3-[(1-oxo-2-phenylethyl)amino]propanoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 3-[(2-phenylacetyl)amino]propanoate Traditional Name: 3-[(2-phenylacetyl)amino]propionic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H21NO5/c1-15-7-8-18-17(13-22(26)28-19(18)11-15)14-27-21(25)9-10-23-20(24)12-16-5-3-2-4-6-16/h2-8,11,13H,9-10,12,14H2,1H3,(H,23,24)