2-[1,3-benzoxazol-2-yl-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)amino]ethanoic acid

Systemtic Name: 2-[1,3-benzoxazol-2-yl-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)amino]ethanoic acid Openeye Name: 2-[1,3-benzoxazol-2-yl-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)amino]acetic acid CAS Name: 2-[1,3-benzoxazol-2-yl-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)amino]acetic acid IUPAC Name: 2-[1,3-benzoxazol-2-yl-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetic acid Traditional Name: 2-[1,3-benzoxazol-2-yl-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)amino]acetic acid Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CC(=O)O)C3=NC4=CC=CC=C4O3)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CC(=O)O)C3=NC4=CC=CC=C4O3)O)C

InChI

InChI=1S/C21H19N3O5/c1-21(2)19(27)18(13-9-12(10-22)7-8-15(13)29-21)24(11-17(25)26)20-23-14-5-3-4-6-16(14)28-20/h3-9,18-19,27H,11H2,1-2H3,(H,25,26)