(2S)-2-[(3-bromanyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[(3-bromanyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(3-bromo-7-hydroxy-2-oxo-chromen-8-yl)methylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[(3-bromo-7-hydroxy-2-oxo-1-benzopyran-8-yl)methylamino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(3-bromo-7-hydroxy-2-oxochromen-8-yl)methylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(3-bromo-7-hydroxy-2-keto-chromen-8-yl)methylamino]-3-phenyl-propionic acid Formula: C19H16BrNO5 MolecularWeight: 418.23804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NCC2=C(C=CC3=C2OC(=O)C(=C3)Br)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NCC2=C(C=CC3=C2OC(=O)C(=C3)Br)O

InChI

InChI=1S/C19H16BrNO5/c20-14-9-12-6-7-16(22)13(17(12)26-19(14)25)10-21-15(18(23)24)8-11-4-2-1-3-5-11/h1-7,9,15,21-22H,8,10H2,(H,23,24)/t15-/m0/s1