3-[[1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-methyl-benzimidazol-5-yl]oxymethyl]benzoic acid

Systemtic Name: 3-[[1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-methyl-benzimidazol-5-yl]oxymethyl]benzoic acid Openeye Name: 3-[[1-[(4-carbamimidoyl-1-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidyl)oxy]-2-methyl-benzimidazol-5-yl]oxymethyl]benzoic acid CAS Name: 3-[[1-[(4-carbamimidoyl-1-naphthalenyl)methyl]-6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-methyl-5-benzimidazolyl]oxymethyl]benzoic acid IUPAC Name: 3-[[1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-methylbenzimidazol-5-yl]oxymethyl]benzoic acid Traditional Name: 3-[[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=CC(=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=CC(=C6)C(=O)O

InChI

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