methyl 4-[[5-(4-carbamimidoylphenyl)pyridin-2-yl]amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[5-(4-carbamimidoylphenyl)pyridin-2-yl]amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[5-(4-carbamimidoylphenyl)-2-pyridyl]amino]cyclohexanecarboxylate CAS Name: 4-[[5-(4-carbamimidoylphenyl)-2-pyridinyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[5-(4-carbamimidoylphenyl)pyridin-2-yl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[5-(4-amidinophenyl)-2-pyridyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C20H24N4O2 MolecularWeight: 352.43016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NC2=NC=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)C1CCC(CC1)NC2=NC=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H24N4O2/c1-26-20(25)15-6-9-17(10-7-15)24-18-11-8-16(12-23-18)13-2-4-14(5-3-13)19(21)22/h2-5,8,11-12,15,17H,6-7,9-10H2,1H3,(H3,21,22)(H,23,24)