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

Systemtic Name: methyl 2-[[N-tert-butyl-C-[2-(4-phenylpiperazin-1-yl)ethyl]carbonimidoyl]amino]benzoate Openeye Name: methyl 2-[[N-tert-butyl-C-[2-(4-phenylpiperazin-1-yl)ethyl]carbonimidoyl]amino]benzoate CAS Name: 2-[[1-tert-butylimino-3-(4-phenyl-1-piperazinyl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[N-tert-butyl-C-[2-(4-phenylpiperazin-1-yl)ethyl]carbonimidoyl]amino]benzoate Traditional Name: 2-[[N-tert-butyl-C-[2-(4-phenylpiperazino)ethyl]carbonimidoyl]amino]benzoic acid methyl ester Formula: C25H34N4O2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(CCN1CCN(CC1)C2=CC=CC=C2)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC(C)(C)N=C(CCN1CCN(CC1)C2=CC=CC=C2)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C25H34N4O2/c1-25(2,3)27-23(26-22-13-9-8-12-21(22)24(30)31-4)14-15-28-16-18-29(19-17-28)20-10-6-5-7-11-20/h5-13H,14-19H2,1-4H3,(H,26,27)