4-[4-(4-carbamimidoylphenyl)-3-(methylcarbamoyl)piperazin-1-yl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[4-(4-carbamimidoylphenyl)-3-(methylcarbamoyl)piperazin-1-yl]cyclohexane-1-carboxylic acid Openeye Name: 4-[4-(4-carbamimidoylphenyl)-3-(methylcarbamoyl)piperazin-1-yl]cyclohexanecarboxylic acid CAS Name: 4-[4-(4-carbamimidoylphenyl)-3-(methylcarbamoyl)-1-piperazinyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[4-(4-carbamimidoylphenyl)-3-(methylcarbamoyl)piperazin-1-yl]cyclohexane-1-carboxylic acid Traditional Name: 4-[4-(4-amidinophenyl)-3-(methylcarbamoyl)piperazino]cyclohexanecarboxylic acid Formula: C20H29N5O3 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(CCN1C2=CC=C(C=C2)C(=N)N)C3CCC(CC3)C(=O)O

Isomeric SMILES

CNC(=O)C1CN(CCN1C2=CC=C(C=C2)C(=N)N)C3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H29N5O3/c1-23-19(26)17-12-24(15-6-4-14(5-7-15)20(27)28)10-11-25(17)16-8-2-13(3-9-16)18(21)22/h2-3,8-9,14-15,17H,4-7,10-12H2,1H3,(H3,21,22)(H,23,26)(H,27,28)