ethyl 4-[[N-tert-butyl-C-[2-(4-phenylpiperazin-1-yl)ethyl]carbonimidoyl]amino]benzoate

Systemtic Name: ethyl 4-[[N-tert-butyl-C-[2-(4-phenylpiperazin-1-yl)ethyl]carbonimidoyl]amino]benzoate Openeye Name: ethyl 4-[[N-tert-butyl-C-[2-(4-phenylpiperazin-1-yl)ethyl]carbonimidoyl]amino]benzoate CAS Name: 4-[[1-tert-butylimino-3-(4-phenyl-1-piperazinyl)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[N-tert-butyl-C-[2-(4-phenylpiperazin-1-yl)ethyl]carbonimidoyl]amino]benzoate Traditional Name: 4-[[N-tert-butyl-C-[2-(4-phenylpiperazino)ethyl]carbonimidoyl]amino]benzoic acid ethyl ester Formula: C26H36N4O2 MolecularWeight: 436.58964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=NC(C)(C)C)CCN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=NC(C)(C)C)CCN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C26H36N4O2/c1-5-32-25(31)21-11-13-22(14-12-21)27-24(28-26(2,3)4)15-16-29-17-19-30(20-18-29)23-9-7-6-8-10-23/h6-14H,5,15-20H2,1-4H3,(H,27,28)