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

Systemtic Name: 2,2-dimethyl-3-[4-(6-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]propanoic acid Openeye Name: 2,2-dimethyl-3-[4-(6-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]propanoic acid CAS Name: 2,2-dimethyl-3-[4-(6-methyl-1,2-benzoxazol-3-yl)-1-piperazinyl]propanoic acid IUPAC Name: 2,2-dimethyl-3-[4-(6-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]propanoic acid Traditional Name: 2,2-dimethyl-3-[4-(6-methylindoxazen-3-yl)piperazino]propionic acid Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NO2)N3CCN(CC3)CC(C)(C)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NO2)N3CCN(CC3)CC(C)(C)C(=O)O

InChI

InChI=1S/C17H23N3O3/c1-12-4-5-13-14(10-12)23-18-15(13)20-8-6-19(7-9-20)11-17(2,3)16(21)22/h4-5,10H,6-9,11H2,1-3H3,(H,21,22)