4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-methyl-amino]cyclohexanecarboxylic acid CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-methylamino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[1-(4-amidinophenyl)isonipecotoyl]-methyl-amino]cyclohexanecarboxylic acid Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)C(=O)O)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN(C1CCC(CC1)C(=O)O)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H30N4O3/c1-24(17-6-4-16(5-7-17)21(27)28)20(26)15-10-12-25(13-11-15)18-8-2-14(3-9-18)19(22)23/h2-3,8-9,15-17H,4-7,10-13H2,1H3,(H3,22,23)(H,27,28)