4-[[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[1-(4-carbamimidoylphenyl)-2-oxo-piperidine-4-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-2-oxo-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[1-(4-carbamimidoylphenyl)-2-oxopiperidine-4-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[1-(4-amidinophenyl)-2-keto-isonipecotoyl]amino]cyclohexanecarboxylic acid Formula: C20H26N4O4 MolecularWeight: 386.44484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC(=O)C2CCN(C(=O)C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CC(CCC1C(=O)O)NC(=O)C2CCN(C(=O)C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H26N4O4/c21-18(22)12-3-7-16(8-4-12)24-10-9-14(11-17(24)25)19(26)23-15-5-1-13(2-6-15)20(27)28/h3-4,7-8,13-15H,1-2,5-6,9-11H2,(H3,21,22)(H,23,26)(H,27,28)