4-[4-cyano-3-[(2-methylpropan-2-yl)oxy]phenyl]-2,5-dimethyl-piperazine-1-carboxylic acid

Systemtic Name: 4-[4-cyano-3-[(2-methylpropan-2-yl)oxy]phenyl]-2,5-dimethyl-piperazine-1-carboxylic acid Openeye Name: 4-(3-tert-butoxy-4-cyano-phenyl)-2,5-dimethyl-piperazine-1-carboxylic acid CAS Name: 4-[4-cyano-3-[(2-methylpropan-2-yl)oxy]phenyl]-2,5-dimethyl-1-piperazinecarboxylic acid IUPAC Name: 4-[4-cyano-3-[(2-methylpropan-2-yl)oxy]phenyl]-2,5-dimethylpiperazine-1-carboxylic acid Traditional Name: 4-(3-tert-butoxy-4-cyano-phenyl)-2,5-dimethyl-piperazine-1-carboxylic acid Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)O)C)C2=CC(=C(C=C2)C#N)OC(C)(C)C

Isomeric SMILES

CC1CN(C(CN1C(=O)O)C)C2=CC(=C(C=C2)C#N)OC(C)(C)C

InChI

InChI=1S/C18H25N3O3/c1-12-11-21(17(22)23)13(2)10-20(12)15-7-6-14(9-19)16(8-15)24-18(3,4)5/h6-8,12-13H,10-11H2,1-5H3,(H,22,23)