4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[1-(4-carbamimidoylphenyl)-4-piperidyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[1-(4-amidinophenyl)-4-piperidyl]carbamoyl]cyclohexanecarboxylic acid Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)NC2CCN(CC2)C3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

C1CC(CCC1C(=O)NC2CCN(CC2)C3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C20H28N4O3/c21-18(22)13-5-7-17(8-6-13)24-11-9-16(10-12-24)23-19(25)14-1-3-15(4-2-14)20(26)27/h5-8,14-16H,1-4,9-12H2,(H3,21,22)(H,23,25)(H,26,27)