3-[4-(5,6-dimethyl-1,2-benzoxazol-3-yl)piperazin-1-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[4-(5,6-dimethyl-1,2-benzoxazol-3-yl)piperazin-1-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[4-(5,6-dimethyl-1,2-benzoxazol-3-yl)piperazin-1-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[4-(5,6-dimethyl-1,2-benzoxazol-3-yl)-1-piperazinyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[4-(5,6-dimethyl-1,2-benzoxazol-3-yl)piperazin-1-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[4-(5,6-dimethylindoxazen-3-yl)piperazino]-2,2-dimethyl-propionic acid Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NO2)N3CCN(CC3)CC(C)(C)C(=O)O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NO2)N3CCN(CC3)CC(C)(C)C(=O)O)C

InChI

InChI=1S/C18H25N3O3/c1-12-9-14-15(10-13(12)2)24-19-16(14)21-7-5-20(6-8-21)11-18(3,4)17(22)23/h9-10H,5-8,11H2,1-4H3,(H,22,23)