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

Systemtic Name: 3-benzamido-4-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid Openeye Name: 3-benzamido-4-[4-[2-(tert-butylamino)-2-oxo-ethyl]piperazin-1-yl]benzoic acid CAS Name: 3-benzamido-4-[4-[2-(tert-butylamino)-2-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-benzamido-4-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]benzoic acid Traditional Name: 3-benzamido-4-[4-[2-(tert-butylamino)-2-keto-ethyl]piperazino]benzoic acid Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H30N4O4/c1-24(2,3)26-21(29)16-27-11-13-28(14-12-27)20-10-9-18(23(31)32)15-19(20)25-22(30)17-7-5-4-6-8-17/h4-10,15H,11-14,16H2,1-3H3,(H,25,30)(H,26,29)(H,31,32)