(2S)-3-methyl-2-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]butanoic acid CAS Name: (2S)-3-methyl-2-[[oxo-[3-(2-oxo-1-benzopyran-3-yl)phenyl]methyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]butanoic acid Traditional Name: (2S)-2-[[3-(2-ketochromen-3-yl)benzoyl]amino]-3-methyl-butyric acid Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC=CC(=C1)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C1=CC=CC(=C1)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C21H19NO5/c1-12(2)18(20(24)25)22-19(23)15-8-5-7-13(10-15)16-11-14-6-3-4-9-17(14)27-21(16)26/h3-12,18H,1-2H3,(H,22,23)(H,24,25)/t18-/m0/s1