methyl 4-[[[3-[(4-carbamimidoylnaphthalen-1-yl)methyl]benzimidazol-5-yl]-piperidin-4-yl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[3-[(4-carbamimidoylnaphthalen-1-yl)methyl]benzimidazol-5-yl]-piperidin-4-yl-amino]methyl]benzoate Openeye Name: methyl 4-[[[3-[(4-carbamimidoyl-1-naphthyl)methyl]benzimidazol-5-yl]-(4-piperidyl)amino]methyl]benzoate CAS Name: 4-[[[3-[(4-carbamimidoyl-1-naphthalenyl)methyl]-5-benzimidazolyl]-(4-piperidinyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[3-[(4-carbamimidoylnaphthalen-1-yl)methyl]benzimidazol-5-yl]-piperidin-4-ylamino]methyl]benzoate Traditional Name: 4-[[[3-[(4-amidino-1-naphthyl)methyl]benzimidazol-5-yl]-(4-piperidyl)amino]methyl]benzoic acid methyl ester Formula: C33H34N6O2 MolecularWeight: 546.66206

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(C2CCNCC2)C3=CC4=C(C=C3)N=CN4CC5=CC=C(C6=CC=CC=C56)C(=N)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(C2CCNCC2)C3=CC4=C(C=C3)N=CN4CC5=CC=C(C6=CC=CC=C56)C(=N)N

InChI

InChI=1S/C33H34N6O2/c1-41-33(40)23-8-6-22(7-9-23)19-39(25-14-16-36-17-15-25)26-11-13-30-31(18-26)38(21-37-30)20-24-10-12-29(32(34)35)28-5-3-2-4-27(24)28/h2-13,18,21,25,36H,14-17,19-20H2,1H3,(H3,34,35)