4-[1-(4-tert-butyl-2,2-diethyl-6,6-dimethyl-3-oxidanylidene-piperazin-1-yl)oxyethyl]benzoic acid

Systemtic Name: 4-[1-(4-tert-butyl-2,2-diethyl-6,6-dimethyl-3-oxidanylidene-piperazin-1-yl)oxyethyl]benzoic acid Openeye Name: 4-[1-(4-tert-butyl-2,2-diethyl-6,6-dimethyl-3-oxo-piperazin-1-yl)oxyethyl]benzoic acid CAS Name: 4-[1-[(4-tert-butyl-2,2-diethyl-6,6-dimethyl-3-oxo-1-piperazinyl)oxy]ethyl]benzoic acid IUPAC Name: 4-[1-(4-tert-butyl-2,2-diethyl-6,6-dimethyl-3-oxopiperazin-1-yl)oxyethyl]benzoic acid Traditional Name: 4-[1-(4-tert-butyl-2,2-diethyl-3-keto-6,6-dimethyl-piperazino)oxyethyl]benzoic acid Formula: C23H36N2O4 MolecularWeight: 404.54294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)N(CC(N1OC(C)C2=CC=C(C=C2)C(=O)O)(C)C)C(C)(C)C)CC

Isomeric SMILES

CCC1(C(=O)N(CC(N1OC(C)C2=CC=C(C=C2)C(=O)O)(C)C)C(C)(C)C)CC

InChI

InChI=1S/C23H36N2O4/c1-9-23(10-2)20(28)24(21(4,5)6)15-22(7,8)25(23)29-16(3)17-11-13-18(14-12-17)19(26)27/h11-14,16H,9-10,15H2,1-8H3,(H,26,27)