N1-[(4-carbamimidoylphenyl)methyl]-N2-cyclohexyl-N2-(2,5-dimethoxyphenyl)cyclopent-2-ene-1,2-dicarboxamide

Systemtic Name: N1-[(4-carbamimidoylphenyl)methyl]-N2-cyclohexyl-N2-(2,5-dimethoxyphenyl)cyclopent-2-ene-1,2-dicarboxamide Openeye Name: N1-[(4-carbamimidoylphenyl)methyl]-N2-cyclohexyl-N2-(2,5-dimethoxyphenyl)cyclopent-2-ene-1,2-dicarboxamide CAS Name: N1-[(4-carbamimidoylphenyl)methyl]-N2-cyclohexyl-N2-(2,5-dimethoxyphenyl)cyclopent-2-ene-1,2-dicarboxamide IUPAC Name: 1-N-[(4-carbamimidoylphenyl)methyl]-2-N-cyclohexyl-2-N-(2,5-dimethoxyphenyl)cyclopent-2-ene-1,2-dicarboxamide Traditional Name: N-(4-amidinobenzyl)-N'-cyclohexyl-N'-(2,5-dimethoxyphenyl)cyclopent-2-ene-1,2-dicarboxamide Formula: C29H36N4O4 MolecularWeight: 504.62054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N(C2CCCCC2)C(=O)C3=CCCC3C(=O)NCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N(C2CCCCC2)C(=O)C3=CCCC3C(=O)NCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C29H36N4O4/c1-36-22-15-16-26(37-2)25(17-22)33(21-7-4-3-5-8-21)29(35)24-10-6-9-23(24)28(34)32-18-19-11-13-20(14-12-19)27(30)31/h10-17,21,23H,3-9,18H2,1-2H3,(H3,30,31)(H,32,34)