2-[2-(2,2-dimethylpropanoylamino)-6-(phenylmethyl)-4-piperazin-1-yl-phenyl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[2-(2,2-dimethylpropanoylamino)-6-(phenylmethyl)-4-piperazin-1-yl-phenyl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[2-benzyl-6-(2,2-dimethylpropanoylamino)-4-piperazin-1-yl-phenyl]-2-oxo-acetic acid CAS Name: 2-[2-[(2,2-dimethyl-1-oxopropyl)amino]-6-(phenylmethyl)-4-(1-piperazinyl)phenyl]-2-oxoacetic acid IUPAC Name: 2-[2-benzyl-6-(2,2-dimethylpropanoylamino)-4-piperazin-1-ylphenyl]-2-oxoacetic acid Traditional Name: 2-[2-benzyl-4-piperazino-6-(pivaloylamino)phenyl]-2-keto-acetic acid Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=C(C(=CC(=C1)N2CCNCC2)CC3=CC=CC=C3)C(=O)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)NC1=C(C(=CC(=C1)N2CCNCC2)CC3=CC=CC=C3)C(=O)C(=O)O

InChI

InChI=1S/C24H29N3O4/c1-24(2,3)23(31)26-19-15-18(27-11-9-25-10-12-27)14-17(20(19)21(28)22(29)30)13-16-7-5-4-6-8-16/h4-8,14-15,25H,9-13H2,1-3H3,(H,26,31)(H,29,30)