3-methyl-2-[(7-oxidanyl-4-oxidanylidene-3-phenoxy-chromen-8-yl)methylamino]butanoic acid

Systemtic Name: 3-methyl-2-[(7-oxidanyl-4-oxidanylidene-3-phenoxy-chromen-8-yl)methylamino]butanoic acid Openeye Name: 2-[(7-hydroxy-4-oxo-3-phenoxy-chromen-8-yl)methylamino]-3-methyl-butanoic acid CAS Name: 2-[(7-hydroxy-4-oxo-3-phenoxy-1-benzopyran-8-yl)methylamino]-3-methylbutanoic acid IUPAC Name: 2-[(7-hydroxy-4-oxo-3-phenoxychromen-8-yl)methylamino]-3-methylbutanoic acid Traditional Name: 2-[(7-hydroxy-4-keto-3-phenoxy-chromen-8-yl)methylamino]-3-methyl-butyric acid Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC1=C(C=CC2=C1OC=C(C2=O)OC3=CC=CC=C3)O

Isomeric SMILES

CC(C)C(C(=O)O)NCC1=C(C=CC2=C1OC=C(C2=O)OC3=CC=CC=C3)O

InChI

InChI=1S/C21H21NO6/c1-12(2)18(21(25)26)22-10-15-16(23)9-8-14-19(24)17(11-27-20(14)15)28-13-6-4-3-5-7-13/h3-9,11-12,18,22-23H,10H2,1-2H3,(H,25,26)