(2S)-2-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[oxo-[3-(2-oxo-1-benzopyran-3-yl)phenyl]methyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[3-(2-ketochromen-3-yl)benzoyl]amino]-3-phenyl-propionate Formula: C25H18NO5- MolecularWeight: 412.41412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)C2=CC=CC(=C2)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC(=O)C2=CC=CC(=C2)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C25H19NO5/c27-23(26-21(24(28)29)13-16-7-2-1-3-8-16)19-11-6-10-17(14-19)20-15-18-9-4-5-12-22(18)31-25(20)30/h1-12,14-15,21H,13H2,(H,26,27)(H,28,29)/p-1/t21-/m0/s1