(2S)-2-[(3-bromanyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[(3-bromanyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(3-bromo-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[(3-bromo-7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methylamino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(3-bromo-7-hydroxy-4-methyl-2-oxochromen-8-yl)methylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(3-bromo-7-hydroxy-2-keto-4-methyl-chromen-8-yl)methylamino]-3-phenyl-propionic acid Formula: C20H18BrNO5 MolecularWeight: 432.26462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2CNC(CC3=CC=CC=C3)C(=O)O)O)Br

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2CN[C@@H](CC3=CC=CC=C3)C(=O)O)O)Br

InChI

InChI=1S/C20H18BrNO5/c1-11-13-7-8-16(23)14(18(13)27-20(26)17(11)21)10-22-15(19(24)25)9-12-5-3-2-4-6-12/h2-8,15,22-23H,9-10H2,1H3,(H,24,25)/t15-/m0/s1