methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[[4-(2-methylpropoxy)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[[4-(2-methylpropoxy)phenyl]carbonylamino]benzoate Openeye Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(4-isobutoxybenzoyl)amino]benzoate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-3-[[[4-(2-methylpropoxy)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[[4-(2-methylpropoxy)benzoyl]amino]benzoate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(4-isobutoxybenzoyl)amino]benzoic acid methyl ester Formula: C25H34N3O4+ MolecularWeight: 440.55516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=C(C=C3)OCC(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=C(C=C3)OCC(C)C

InChI

InChI=1S/C25H33N3O4/c1-5-27-12-14-28(15-13-27)23-11-8-20(25(30)31-4)16-22(23)26-24(29)19-6-9-21(10-7-19)32-17-18(2)3/h6-11,16,18H,5,12-15,17H2,1-4H3,(H,26,29)/p+1