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

Systemtic Name: methyl 4-[[4-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-methyl-1H-benzimidazol-5-yl]oxymethyl]benzoate Openeye Name: methyl 4-[[4-[(4-carbamimidoyl-1-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidyl)oxy]-2-methyl-1H-benzimidazol-5-yl]oxymethyl]benzoate CAS Name: 4-[[4-[(4-carbamimidoyl-1-naphthalenyl)methyl]-6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-methyl-1H-benzimidazol-5-yl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-methyl-1H-benzimidazol-5-yl]oxymethyl]benzoate Traditional Name: 4-[[6-[(1-acetimidoyl-4-piperidyl)oxy]-4-[(4-amidino-1-naphthyl)methyl]-2-methyl-1H-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=C(C(=C(C=C2N1)OC3CCN(CC3)C(=N)C)OCC4=CC=C(C=C4)C(=O)OC)CC5=CC=C(C6=CC=CC=C56)C(=N)N

Isomeric SMILES

CC1=NC2=C(C(=C(C=C2N1)OC3CCN(CC3)C(=N)C)OCC4=CC=C(C=C4)C(=O)OC)CC5=CC=C(C6=CC=CC=C56)C(=N)N

InChI

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