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

Systemtic Name: methyl 4-[[2-[5-carbamimidoyl-2-[(4-piperidin-4-yloxyphenoxy)methyl]benzimidazol-1-yl]ethanoylamino]methyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[[2-[5-carbamimidoyl-2-[[4-(4-piperidyloxy)phenoxy]methyl]benzimidazol-1-yl]acetyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[2-[5-carbamimidoyl-2-[[4-(4-piperidinyloxy)phenoxy]methyl]-1-benzimidazolyl]-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[[2-[5-carbamimidoyl-2-[(4-piperidin-4-yloxyphenoxy)methyl]benzimidazol-1-yl]acetyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[2-[5-amidino-2-[[4-(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)CN2C3=C(C=C(C=C3)C(=N)N)N=C2COC4=CC=C(C=C4)OC5CCNCC5

Isomeric SMILES

COC(=O)C1CCC(CC1)CNC(=O)CN2C3=C(C=C(C=C3)C(=N)N)N=C2COC4=CC=C(C=C4)OC5CCNCC5

InChI

InChI=1S/C31H40N6O5/c1-40-31(39)21-4-2-20(3-5-21)17-35-29(38)18-37-27-11-6-22(30(32)33)16-26(27)36-28(37)19-41-23-7-9-24(10-8-23)42-25-12-14-34-15-13-25/h6-11,16,20-21,25,34H,2-5,12-15,17-19H2,1H3,(H3,32,33)(H,35,38)