ethyl 3-[[4-(4-carbamimidoylphenyl)carbonylpiperazin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[4-(4-carbamimidoylphenyl)carbonylpiperazin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[4-(4-carbamimidoylbenzoyl)piperazine-1-carbonyl]amino]benzoate CAS Name: 3-[[[4-[(4-carbamimidoylphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-carbamimidoylbenzoyl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 3-[[4-(4-amidinobenzoyl)piperazine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H25N5O4/c1-2-31-21(29)17-4-3-5-18(14-17)25-22(30)27-12-10-26(11-13-27)20(28)16-8-6-15(7-9-16)19(23)24/h3-9,14H,2,10-13H2,1H3,(H3,23,24)(H,25,30)