methyl 4-[[2-[5-carbamimidoyl-4-[(2-piperidin-4-yloxyphenoxy)methyl]benzimidazol-1-yl]ethanoylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[2-[5-carbamimidoyl-4-[(2-piperidin-4-yloxyphenoxy)methyl]benzimidazol-1-yl]ethanoylamino]methyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[[2-[5-carbamimidoyl-4-[[2-(4-piperidyloxy)phenoxy]methyl]benzimidazol-1-yl]acetyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[2-[5-carbamimidoyl-4-[[2-(4-piperidinyloxy)phenoxy]methyl]-1-benzimidazolyl]-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[[2-[5-carbamimidoyl-4-[(2-piperidin-4-yloxyphenoxy)methyl]benzimidazol-1-yl]acetyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[2-[5-amidino-4-[[2-(4-piperidyloxy)phenoxy]methyl]benzimidazol-1-yl]acetyl]amino]methyl]cyclohexanecarboxylic acid methyl ester Formula: C31H40N6O5 MolecularWeight: 576.6865

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)CNC(=O)CN2C=NC3=C2C=CC(=C3COC4=CC=CC=C4OC5CCNCC5)C(=N)N

Isomeric SMILES

COC(=O)C1CCC(CC1)CNC(=O)CN2C=NC3=C2C=CC(=C3COC4=CC=CC=C4OC5CCNCC5)C(=N)N

InChI

InChI=1S/C31H40N6O5/c1-40-31(39)21-8-6-20(7-9-21)16-35-28(38)17-37-19-36-29-24(23(30(32)33)10-11-25(29)37)18-41-26-4-2-3-5-27(26)42-22-12-14-34-15-13-22/h2-5,10-11,19-22,34H,6-9,12-18H2,1H3,(H3,32,33)(H,35,38)