methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(4-phenylmethoxyphenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(4-phenylmethoxyphenyl)carbonylamino]benzoate Openeye Name: methyl 3-[(4-benzyloxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-3-[[oxo-(4-phenylmethoxyphenyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(4-phenylmethoxybenzoyl)amino]benzoate Traditional Name: 3-[(4-benzoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoic acid methyl ester Formula: C28H32N3O4+ MolecularWeight: 474.57138

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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=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O4/c1-3-30-15-17-31(18-16-30)26-14-11-23(28(33)34-2)19-25(26)29-27(32)22-9-12-24(13-10-22)35-20-21-7-5-4-6-8-21/h4-14,19H,3,15-18,20H2,1-2H3,(H,29,32)/p+1