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

Systemtic Name: methyl 2-[1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-methyl-benzimidazol-5-yl]oxypropanoate Openeye Name: methyl 2-[1-[(4-carbamimidoyl-1-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidyl)oxy]-2-methyl-benzimidazol-5-yl]oxypropanoate CAS Name: 2-[[1-[(4-carbamimidoyl-1-naphthalenyl)methyl]-6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-methyl-5-benzimidazolyl]oxy]propanoic acid methyl ester IUPAC Name: methyl 2-[1-[(4-carbamimidoylnaphthalen-1-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-2-methylbenzimidazol-5-yl]oxypropanoate Traditional Name: 2-[6-[(1-acetimidoyl-4-piperidyl)oxy]-1-[(4-amidino-1-naphthyl)methyl]-2-methyl-benzimidazol-5-yl]oxypropionic acid methyl ester Formula: C31H36N6O4 MolecularWeight: 556.65534

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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)OC(C)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)OC(C)C(=O)OC

InChI

InChI=1S/C31H36N6O4/c1-18(31(38)39-4)40-28-15-26-27(16-29(28)41-22-11-13-36(14-12-22)19(2)32)37(20(3)35-26)17-21-9-10-25(30(33)34)24-8-6-5-7-23(21)24/h5-10,15-16,18,22,32H,11-14,17H2,1-4H3,(H3,33,34)