5-bromanyl-2-[2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]benzoic acid

Systemtic Name: 5-bromanyl-2-[2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 5-bromo-2-[2-[4-[2-(tert-butylamino)-2-oxo-ethyl]piperazin-1-yl]-2-oxo-ethoxy]benzoic acid CAS Name: 5-bromo-2-[2-[4-[2-(tert-butylamino)-2-oxoethyl]-1-piperazinyl]-2-oxoethoxy]benzoic acid IUPAC Name: 5-bromo-2-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethoxy]benzoic acid Traditional Name: 5-bromo-2-[2-[4-[2-(tert-butylamino)-2-keto-ethyl]piperazino]-2-keto-ethoxy]benzoic acid Formula: C19H26BrN3O5 MolecularWeight: 456.33084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)COC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)COC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C19H26BrN3O5/c1-19(2,3)21-16(24)11-22-6-8-23(9-7-22)17(25)12-28-15-5-4-13(20)10-14(15)18(26)27/h4-5,10H,6-9,11-12H2,1-3H3,(H,21,24)(H,26,27)