4-[1,3-benzoxazol-2-yl(carboxymethyl)amino]-2-methyl-2-phenoxy-pentanoic acid

Systemtic Name: 4-[1,3-benzoxazol-2-yl(carboxymethyl)amino]-2-methyl-2-phenoxy-pentanoic acid Openeye Name: 4-[1,3-benzoxazol-2-yl(carboxymethyl)amino]-2-methyl-2-phenoxy-pentanoic acid CAS Name: 4-[1,3-benzoxazol-2-yl(carboxymethyl)amino]-2-methyl-2-phenoxypentanoic acid IUPAC Name: 4-[1,3-benzoxazol-2-yl(carboxymethyl)amino]-2-methyl-2-phenoxypentanoic acid Traditional Name: 4-[1,3-benzoxazol-2-yl(carboxymethyl)amino]-2-methyl-2-phenoxy-valeric acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C(=O)O)OC1=CC=CC=C1)N(CC(=O)O)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(CC(C)(C(=O)O)OC1=CC=CC=C1)N(CC(=O)O)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C21H22N2O6/c1-14(12-21(2,19(26)27)29-15-8-4-3-5-9-15)23(13-18(24)25)20-22-16-10-6-7-11-17(16)28-20/h3-11,14H,12-13H2,1-2H3,(H,24,25)(H,26,27)