methyl 4-[3-azanyl-2-[5-carbamimidoyl-2-[(4-piperidin-4-yloxyphenoxy)methyl]benzimidazol-1-yl]-3-oxidanylidene-propyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[3-azanyl-2-[5-carbamimidoyl-2-[(4-piperidin-4-yloxyphenoxy)methyl]benzimidazol-1-yl]-3-oxidanylidene-propyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[3-amino-2-[5-carbamimidoyl-2-[[4-(4-piperidyloxy)phenoxy]methyl]benzimidazol-1-yl]-3-oxo-propyl]cyclohexanecarboxylate CAS Name: 4-[3-amino-2-[5-carbamimidoyl-2-[[4-(4-piperidinyloxy)phenoxy]methyl]-1-benzimidazolyl]-3-oxopropyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-amino-2-[5-carbamimidoyl-2-[(4-piperidin-4-yloxyphenoxy)methyl]benzimidazol-1-yl]-3-oxopropyl]cyclohexane-1-carboxylate Traditional Name: 4-[2-[5-amidino-2-[[4-(4-piperidyloxy)phenoxy]methyl]benzimidazol-1-yl]-3-amino-3-keto-propyl]cyclohexanecarboxylic acid methyl ester Formula: C31H40N6O5 MolecularWeight: 576.6865

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)CC(C(=O)N)N2C3=C(C=C(C=C3)C(=N)N)N=C2COC4=CC=C(C=C4)OC5CCNCC5

Isomeric SMILES

COC(=O)C1CCC(CC1)CC(C(=O)N)N2C3=C(C=C(C=C3)C(=N)N)N=C2COC4=CC=C(C=C4)OC5CCNCC5

InChI

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