piperidin-4-yl 4-[4-[4-carbamimidoyl-2-(methylcarbamoyl)phenyl]phenyl]cyclohexane-1-carboxylate

Systemtic Name: piperidin-4-yl 4-[4-[4-carbamimidoyl-2-(methylcarbamoyl)phenyl]phenyl]cyclohexane-1-carboxylate Openeye Name: 4-piperidyl 4-[4-[4-carbamimidoyl-2-(methylcarbamoyl)phenyl]phenyl]cyclohexanecarboxylate CAS Name: 4-[4-[4-carbamimidoyl-2-(methylcarbamoyl)phenyl]phenyl]-1-cyclohexanecarboxylic acid 4-piperidinyl ester IUPAC Name: piperidin-4-yl 4-[4-[4-carbamimidoyl-2-(methylcarbamoyl)phenyl]phenyl]cyclohexane-1-carboxylate Traditional Name: 4-[4-[4-amidino-2-(methylcarbamoyl)phenyl]phenyl]cyclohexanecarboxylic acid 4-piperidyl ester Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(C=CC(=C1)C(=N)N)C2=CC=C(C=C2)C3CCC(CC3)C(=O)OC4CCNCC4

Isomeric SMILES

CNC(=O)C1=C(C=CC(=C1)C(=N)N)C2=CC=C(C=C2)C3CCC(CC3)C(=O)OC4CCNCC4

InChI

InChI=1S/C27H34N4O3/c1-30-26(32)24-16-21(25(28)29)10-11-23(24)19-6-2-17(3-7-19)18-4-8-20(9-5-18)27(33)34-22-12-14-31-15-13-22/h2-3,6-7,10-11,16,18,20,22,31H,4-5,8-9,12-15H2,1H3,(H3,28,29)(H,30,32)