3-acetamido-4-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 3-acetamido-4-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid Openeye Name: 3-acetamido-4-[4-[2-(tert-butylamino)-2-oxo-ethyl]piperazin-1-yl]benzoic acid CAS Name: 3-acetamido-4-[4-[2-(tert-butylamino)-2-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-acetamido-4-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]benzoic acid Traditional Name: 3-acetamido-4-[4-[2-(tert-butylamino)-2-keto-ethyl]piperazino]benzoic acid Formula: C19H28N4O4 MolecularWeight: 376.45002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C19H28N4O4/c1-13(24)20-15-11-14(18(26)27)5-6-16(15)23-9-7-22(8-10-23)12-17(25)21-19(2,3)4/h5-6,11H,7-10,12H2,1-4H3,(H,20,24)(H,21,25)(H,26,27)