4-(2-carbamimidoylphenyl)-1-(piperidin-1-ylcarbonylamino)cyclohexane-1-carboxylic acid

Systemtic Name: 4-(2-carbamimidoylphenyl)-1-(piperidin-1-ylcarbonylamino)cyclohexane-1-carboxylic acid Openeye Name: 4-(2-carbamimidoylphenyl)-1-(piperidine-1-carbonylamino)cyclohexanecarboxylic acid CAS Name: 4-(2-carbamimidoylphenyl)-1-[[oxo(1-piperidinyl)methyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-(2-carbamimidoylphenyl)-1-(piperidine-1-carbonylamino)cyclohexane-1-carboxylic acid Traditional Name: 4-(2-amidinophenyl)-1-(piperidine-1-carbonylamino)cyclohexanecarboxylic acid Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)NC2(CCC(CC2)C3=CC=CC=C3C(=N)N)C(=O)O

Isomeric SMILES

C1CCN(CC1)C(=O)NC2(CCC(CC2)C3=CC=CC=C3C(=N)N)C(=O)O

InChI

InChI=1S/C20H28N4O3/c21-17(22)16-7-3-2-6-15(16)14-8-10-20(11-9-14,18(25)26)23-19(27)24-12-4-1-5-13-24/h2-3,6-7,14H,1,4-5,8-13H2,(H3,21,22)(H,23,27)(H,25,26)