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

Systemtic Name: methyl 3-[[1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-methyl-benzimidazol-5-yl]oxymethyl]benzoate Openeye Name: methyl 3-[[1-[(4-carbamimidoyl-1-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidyl)oxy]-2-methyl-benzimidazol-5-yl]oxymethyl]benzoate CAS Name: 3-[[1-[(4-carbamimidoyl-1-naphthalenyl)methyl]-6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-methyl-5-benzimidazolyl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-methylbenzimidazol-5-yl]oxymethyl]benzoate Traditional Name: 3-[[6-[(1-acetimidoyl-4-piperidyl)oxy]-1-[(4-amidino-1-naphthyl)methyl]-2-methyl-benzimidazol-5-yl]oxymethyl]benzoic acid methyl ester Formula: C36H38N6O4 MolecularWeight: 618.72472

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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)OC

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)OC

InChI

InChI=1S/C36H38N6O4/c1-22(37)41-15-13-27(14-16-41)46-34-19-32-31(18-33(34)45-21-24-7-6-8-25(17-24)36(43)44-3)40-23(2)42(32)20-26-11-12-30(35(38)39)29-10-5-4-9-28(26)29/h4-12,17-19,27,37H,13-16,20-21H2,1-3H3,(H3,38,39)