2-[[1-(tert-butylamino)-1-oxidanylidene-octan-2-yl]-methyl-amino]ethyl benzoate

Systemtic Name: 2-[[1-(tert-butylamino)-1-oxidanylidene-octan-2-yl]-methyl-amino]ethyl benzoate Openeye Name: 2-[1-(tert-butylcarbamoyl)heptyl-methyl-amino]ethyl benzoate CAS Name: benzoic acid 2-[[1-(tert-butylamino)-1-oxooctan-2-yl]-methylamino]ethyl ester IUPAC Name: 2-[[1-(tert-butylamino)-1-oxooctan-2-yl]-methylamino]ethyl benzoate Traditional Name: benzoic acid 2-[1-(tert-butylcarbamoyl)heptyl-methyl-amino]ethyl ester Formula: C22H36N2O3 MolecularWeight: 376.53284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)NC(C)(C)C)N(C)CCOC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCC(C(=O)NC(C)(C)C)N(C)CCOC(=O)C1=CC=CC=C1

InChI

InChI=1S/C22H36N2O3/c1-6-7-8-12-15-19(20(25)23-22(2,3)4)24(5)16-17-27-21(26)18-13-10-9-11-14-18/h9-11,13-14,19H,6-8,12,15-17H2,1-5H3,(H,23,25)