(2R)-2-[(3,4-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[(3,4-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[(7-hydroxy-3,4-dimethyl-2-oxo-chromen-8-yl)methylamino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[(7-hydroxy-3,4-dimethyl-2-oxo-1-benzopyran-8-yl)methylamino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[(7-hydroxy-3,4-dimethyl-2-oxochromen-8-yl)methylamino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[(7-hydroxy-2-keto-3,4-dimethyl-chromen-8-yl)methylamino]-3-phenyl-propionic acid Formula: C21H21NO5 MolecularWeight: 367.39514

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c1-12-13(2)21(26)27-19-15(12)8-9-18(23)16(19)11-22-17(20(24)25)10-14-6-4-3-5-7-14/h3-9,17,22-23H,10-11H2,1-2H3,(H,24,25)/t17-/m1/s1