ethyl 3-[(4-ethoxyphenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzoate

Systemtic Name: ethyl 3-[(4-ethoxyphenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(4-ethoxybenzoyl)amino]benzoate CAS Name: 3-[[(4-ethoxyphenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(4-ethoxybenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(4-ethoxybenzoyl)amino]benzoic acid ethyl ester Formula: C29H34N3O4+ MolecularWeight: 488.59796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H33N3O4/c1-3-35-25-13-10-23(11-14-25)28(33)30-26-20-24(29(34)36-4-2)12-15-27(26)32-18-16-31(17-19-32)21-22-8-6-5-7-9-22/h5-15,20H,3-4,16-19,21H2,1-2H3,(H,30,33)/p+1