methyl (3S)-3-[2-(2-oxidanylidenechromen-7-yl)oxyethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (3S)-3-[2-(2-oxidanylidenechromen-7-yl)oxyethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (3S)-3-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-3-phenyl-propanoate CAS Name: (3S)-3-[[1-oxo-2-[(2-oxo-1-benzopyran-7-yl)oxy]ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (3S)-3-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-3-phenylpropanoate Traditional Name: (3S)-3-[[2-(2-ketochromen-7-yl)oxyacetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H19NO6 MolecularWeight: 381.37866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3

Isomeric SMILES

COC(=O)C[C@@H](C1=CC=CC=C1)NC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3

InChI

InChI=1S/C21H19NO6/c1-26-21(25)12-17(14-5-3-2-4-6-14)22-19(23)13-27-16-9-7-15-8-10-20(24)28-18(15)11-16/h2-11,17H,12-13H2,1H3,(H,22,23)/t17-/m0/s1