tert-butyl 2-[[2-(4-dodecylpiperazin-1-yl)-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: tert-butyl 2-[[2-(4-dodecylpiperazin-1-yl)-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: tert-butyl 2-[[2-(4-dodecylpiperazin-1-yl)-2-oxo-ethyl]amino]benzoate CAS Name: 2-[[2-(4-dodecyl-1-piperazinyl)-2-oxoethyl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(4-dodecylpiperazin-1-yl)-2-oxoethyl]amino]benzoate Traditional Name: 2-[[2-keto-2-(4-laurylpiperazino)ethyl]amino]benzoic acid tert-butyl ester Formula: C29H49N3O3 MolecularWeight: 487.71766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1CCN(CC1)C(=O)CNC2=CC=CC=C2C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCN1CCN(CC1)C(=O)CNC2=CC=CC=C2C(=O)OC(C)(C)C

InChI

InChI=1S/C29H49N3O3/c1-5-6-7-8-9-10-11-12-13-16-19-31-20-22-32(23-21-31)27(33)24-30-26-18-15-14-17-25(26)28(34)35-29(2,3)4/h14-15,17-18,30H,5-13,16,19-24H2,1-4H3