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

Systemtic Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(3-propan-2-yloxyphenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(3-isopropoxybenzoyl)amino]benzoate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-3-[[oxo-(3-propan-2-yloxyphenyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(3-propan-2-yloxybenzoyl)amino]benzoate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(3-isopropoxybenzoyl)amino]benzoic acid methyl ester Formula: C24H32N3O4+ MolecularWeight: 426.52858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4/c1-5-26-11-13-27(14-12-26)22-10-9-19(24(29)30-4)16-21(22)25-23(28)18-7-6-8-20(15-18)31-17(2)3/h6-10,15-17H,5,11-14H2,1-4H3,(H,25,28)/p+1