methyl 4-[[3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2-methyl-benzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]butanoate

Systemtic Name: methyl 4-[[3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2-methyl-benzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]butanoate Openeye Name: methyl 4-[[3-[(7-carbamimidoyl-2-naphthyl)methyl]-2-methyl-benzimidazol-5-yl]-(1-ethanimidoyl-4-piperidyl)amino]butanoate CAS Name: 4-[[3-[(7-carbamimidoyl-2-naphthalenyl)methyl]-2-methyl-5-benzimidazolyl]-[1-(1-iminoethyl)-4-piperidinyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2-methylbenzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]butanoate Traditional Name: 4-[(1-acetimidoyl-4-piperidyl)-[3-[(7-amidino-2-naphthyl)methyl]-2-methyl-benzimidazol-5-yl]amino]butyric acid methyl ester Formula: C32H39N7O2 MolecularWeight: 553.69776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C=C(C=C2)N(CCCC(=O)OC)C5CCN(CC5)C(=N)C

Isomeric SMILES

CC1=NC2=C(N1CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C=C(C=C2)N(CCCC(=O)OC)C5CCN(CC5)C(=N)C

InChI

InChI=1S/C32H39N7O2/c1-21(33)37-15-12-27(13-16-37)38(14-4-5-31(40)41-3)28-10-11-29-30(19-28)39(22(2)36-29)20-23-6-7-24-8-9-25(32(34)35)18-26(24)17-23/h6-11,17-19,27,33H,4-5,12-16,20H2,1-3H3,(H3,34,35)