methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(4-propan-2-ylphenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(4-propan-2-ylphenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(4-isopropylbenzoyl)amino]benzoate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-3-[[oxo-(4-propan-2-ylphenyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(4-propan-2-ylbenzoyl)amino]benzoate Traditional Name: 3-(cumoylamino)-4-(4-ethylpiperazin-4-ium-1-yl)benzoic acid methyl ester Formula: C24H32N3O3+ MolecularWeight: 410.52918

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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3/c1-5-26-12-14-27(15-13-26)22-11-10-20(24(29)30-4)16-21(22)25-23(28)19-8-6-18(7-9-19)17(2)3/h6-11,16-17H,5,12-15H2,1-4H3,(H,25,28)/p+1