2-[5-carbamimidoyl-2-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenoxy]methyl]benzimidazol-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[5-carbamimidoyl-2-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenoxy]methyl]benzimidazol-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[5-carbamimidoyl-2-[[4-[(1-ethanimidoyl-4-piperidyl)oxy]phenoxy]methyl]benzimidazol-1-yl]acetamide CAS Name: 2-[5-carbamimidoyl-2-[[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenoxy]methyl]-1-benzimidazolyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[5-carbamimidoyl-2-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenoxy]methyl]benzimidazol-1-yl]acetamide Traditional Name: 2-[2-[[4-[(1-acetimidoyl-4-piperidyl)oxy]phenoxy]methyl]-5-amidino-benzimidazol-1-yl]-N-benzyl-acetamide Formula: C31H35N7O3 MolecularWeight: 553.6547

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)OCC3=NC4=C(N3CC(=O)NCC5=CC=CC=C5)C=CC(=C4)C(=N)N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)OCC3=NC4=C(N3CC(=O)NCC5=CC=CC=C5)C=CC(=C4)C(=N)N

InChI

InChI=1S/C31H35N7O3/c1-21(32)37-15-13-26(14-16-37)41-25-10-8-24(9-11-25)40-20-29-36-27-17-23(31(33)34)7-12-28(27)38(29)19-30(39)35-18-22-5-3-2-4-6-22/h2-12,17,26,32H,13-16,18-20H2,1H3,(H3,33,34)(H,35,39)