ethyl 4-[[N-tert-butyl-C-[2-(cyclohexylamino)ethyl]carbonimidoyl]amino]benzoate

Systemtic Name: ethyl 4-[[N-tert-butyl-C-[2-(cyclohexylamino)ethyl]carbonimidoyl]amino]benzoate Openeye Name: ethyl 4-[[N-tert-butyl-C-[2-(cyclohexylamino)ethyl]carbonimidoyl]amino]benzoate CAS Name: 4-[[1-tert-butylimino-3-(cyclohexylamino)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[N-tert-butyl-C-[2-(cyclohexylamino)ethyl]carbonimidoyl]amino]benzoate Traditional Name: 4-[[N-tert-butyl-C-[2-(cyclohexylamino)ethyl]carbonimidoyl]amino]benzoic acid ethyl ester Formula: C22H35N3O2 MolecularWeight: 373.5322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=NC(C)(C)C)CCNC2CCCCC2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=NC(C)(C)C)CCNC2CCCCC2

InChI

InChI=1S/C22H35N3O2/c1-5-27-21(26)17-11-13-19(14-12-17)24-20(25-22(2,3)4)15-16-23-18-9-7-6-8-10-18/h11-14,18,23H,5-10,15-16H2,1-4H3,(H,24,25)