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

Systemtic Name: 4-[[[3-[(4-carbamimidoylnaphthalen-1-yl)methyl]benzimidazol-5-yl]-piperidin-4-yl-amino]methyl]benzoic acid Openeye Name: 4-[[[3-[(4-carbamimidoyl-1-naphthyl)methyl]benzimidazol-5-yl]-(4-piperidyl)amino]methyl]benzoic acid CAS Name: 4-[[[3-[(4-carbamimidoyl-1-naphthalenyl)methyl]-5-benzimidazolyl]-(4-piperidinyl)amino]methyl]benzoic acid IUPAC Name: 4-[[[3-[(4-carbamimidoylnaphthalen-1-yl)methyl]benzimidazol-5-yl]-piperidin-4-ylamino]methyl]benzoic acid Traditional Name: 4-[[[3-[(4-amidino-1-naphthyl)methyl]benzimidazol-5-yl]-(4-piperidyl)amino]methyl]benzoic acid Formula: C32H32N6O2 MolecularWeight: 532.63548

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N(CC2=CC=C(C=C2)C(=O)O)C3=CC4=C(C=C3)N=CN4CC5=CC=C(C6=CC=CC=C56)C(=N)N

Isomeric SMILES

C1CNCCC1N(CC2=CC=C(C=C2)C(=O)O)C3=CC4=C(C=C3)N=CN4CC5=CC=C(C6=CC=CC=C56)C(=N)N

InChI

InChI=1S/C32H32N6O2/c33-31(34)28-11-9-23(26-3-1-2-4-27(26)28)19-37-20-36-29-12-10-25(17-30(29)37)38(24-13-15-35-16-14-24)18-21-5-7-22(8-6-21)32(39)40/h1-12,17,20,24,35H,13-16,18-19H2,(H3,33,34)(H,39,40)