(2S)-4-methyl-2-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbonylamino]pentanoate

Systemtic Name: (2S)-4-methyl-2-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbonylamino]pentanoate Openeye Name: (2S)-4-methyl-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[oxo-[3-(2-oxo-1-benzopyran-3-yl)phenyl]methyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]pentanoate Traditional Name: (2S)-2-[[3-(2-ketochromen-3-yl)benzoyl]amino]-4-methyl-valerate Formula: C22H20NO5- MolecularWeight: 378.3979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO5/c1-13(2)10-18(21(25)26)23-20(24)16-8-5-7-14(11-16)17-12-15-6-3-4-9-19(15)28-22(17)27/h3-9,11-13,18H,10H2,1-2H3,(H,23,24)(H,25,26)/p-1/t18-/m0/s1