4-[[N'-(carboxymethyl)-N-cyclohexyl-N-methyl-carbamimidoyl]amino]benzoic acid

Systemtic Name: 4-[[N'-(carboxymethyl)-N-cyclohexyl-N-methyl-carbamimidoyl]amino]benzoic acid Openeye Name: 4-[[N'-(carboxymethyl)-N-cyclohexyl-N-methyl-carbamimidoyl]amino]benzoic acid CAS Name: 4-[[carboxymethylimino-[cyclohexyl(methyl)amino]methyl]amino]benzoic acid IUPAC Name: 4-[[N'-(carboxymethyl)-N-cyclohexyl-N-methylcarbamimidoyl]amino]benzoic acid Traditional Name: 4-[[N'-(carboxymethyl)-N-cyclohexyl-N-methyl-amidino]amino]benzoic acid Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=NCC(=O)O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN(C1CCCCC1)C(=NCC(=O)O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H23N3O4/c1-20(14-5-3-2-4-6-14)17(18-11-15(21)22)19-13-9-7-12(8-10-13)16(23)24/h7-10,14H,2-6,11H2,1H3,(H,18,19)(H,21,22)(H,23,24)