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

Systemtic Name: tert-butyl 2-[[2-(4-decylpiperazin-1-yl)-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: tert-butyl 2-[[2-(4-decylpiperazin-1-yl)-2-oxo-ethyl]amino]benzoate CAS Name: 2-[[2-(4-decyl-1-piperazinyl)-2-oxoethyl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(4-decylpiperazin-1-yl)-2-oxoethyl]amino]benzoate Traditional Name: 2-[[2-(4-decylpiperazino)-2-keto-ethyl]amino]benzoic acid tert-butyl ester Formula: C27H45N3O3 MolecularWeight: 459.6645

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1CCN(CC1)C(=O)CNC2=CC=CC=C2C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCN1CCN(CC1)C(=O)CNC2=CC=CC=C2C(=O)OC(C)(C)C

InChI

InChI=1S/C27H45N3O3/c1-5-6-7-8-9-10-11-14-17-29-18-20-30(21-19-29)25(31)22-28-24-16-13-12-15-23(24)26(32)33-27(2,3)4/h12-13,15-16,28H,5-11,14,17-22H2,1-4H3