4-[[1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-methyl-benzimidazol-5-yl]oxymethyl]benzoic acid

Systemtic Name: 4-[[1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-methyl-benzimidazol-5-yl]oxymethyl]benzoic acid Openeye Name: 4-[[1-[(4-carbamimidoyl-1-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidyl)oxy]-2-methyl-benzimidazol-5-yl]oxymethyl]benzoic acid CAS Name: 4-[[1-[(4-carbamimidoyl-1-naphthalenyl)methyl]-6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-methyl-5-benzimidazolyl]oxymethyl]benzoic acid IUPAC Name: 4-[[1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-methylbenzimidazol-5-yl]oxymethyl]benzoic acid Traditional Name: 4-[[6-[(1-acetimidoyl-4-piperidyl)oxy]-1-[(4-amidino-1-naphthyl)methyl]-2-methyl-benzimidazol-5-yl]oxymethyl]benzoic acid Formula: C35H36N6O4 MolecularWeight: 604.69814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=C(C=C2N1CC3=CC=C(C4=CC=CC=C34)C(=N)N)OC5CCN(CC5)C(=N)C)OCC6=CC=C(C=C6)C(=O)O

Isomeric SMILES

CC1=NC2=CC(=C(C=C2N1CC3=CC=C(C4=CC=CC=C34)C(=N)N)OC5CCN(CC5)C(=N)C)OCC6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C35H36N6O4/c1-21(36)40-15-13-26(14-16-40)45-33-18-31-30(17-32(33)44-20-23-7-9-24(10-8-23)35(42)43)39-22(2)41(31)19-25-11-12-29(34(37)38)28-6-4-3-5-27(25)28/h3-12,17-18,26,36H,13-16,19-20H2,1-2H3,(H3,37,38)(H,42,43)