4-[2-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]amino]ethanoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[2-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]amino]ethanoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[2-[[1-(4-carbamimidoylphenyl)-4-piperidyl]amino]acetyl]cyclohexanecarboxylic acid CAS Name: 4-[2-[[1-(4-carbamimidoylphenyl)-4-piperidinyl]amino]-1-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[2-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]amino]acetyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[2-[[1-(4-amidinophenyl)-4-piperidyl]amino]acetyl]cyclohexanecarboxylic acid Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)CNC2CCN(CC2)C3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

C1CC(CCC1C(=O)CNC2CCN(CC2)C3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C21H30N4O3/c22-20(23)15-5-7-18(8-6-15)25-11-9-17(10-12-25)24-13-19(26)14-1-3-16(4-2-14)21(27)28/h5-8,14,16-17,24H,1-4,9-13H2,(H3,22,23)(H,27,28)