methyl 4-[[4-(4-carbamimidoyl-2-methyl-phenyl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[4-(4-carbamimidoyl-2-methyl-phenyl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[4-(4-carbamimidoyl-2-methyl-phenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(4-carbamimidoyl-2-methylphenyl)-1-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-(4-carbamimidoyl-2-methylphenyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(4-amidino-2-methyl-phenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C21H31N5O3 MolecularWeight: 401.50254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=N)N)N2CCN(CC2)C(=O)NC3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=N)N)N2CCN(CC2)C(=O)NC3CCC(CC3)C(=O)OC

InChI

InChI=1S/C21H31N5O3/c1-14-13-16(19(22)23)5-8-18(14)25-9-11-26(12-10-25)21(28)24-17-6-3-15(4-7-17)20(27)29-2/h5,8,13,15,17H,3-4,6-7,9-12H2,1-2H3,(H3,22,23)(H,24,28)