(6-carbamimidoylnaphthalen-2-yl) 4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylamino)benzoate

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) 4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylamino)benzoate Openeye Name: (6-carbamimidoyl-2-naphthyl) 4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylamino)benzoate CAS Name: 4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylamino)benzoic acid (6-carbamimidoyl-2-naphthalenyl) ester IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylamino)benzoate Traditional Name: 4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylamino)benzoic acid (6-amidino-2-naphthyl) ester Formula: C25H25N5O2 MolecularWeight: 427.4983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)NC(=N2)NC3=CC=C(C=C3)C(=O)OC4=CC5=C(C=C4)C=C(C=C5)C(=N)N

Isomeric SMILES

C1CCC2C(C1)NC(=N2)NC3=CC=C(C=C3)C(=O)OC4=CC5=C(C=C4)C=C(C=C5)C(=N)N

InChI

InChI=1S/C25H25N5O2/c26-23(27)18-6-5-17-14-20(12-9-16(17)13-18)32-24(31)15-7-10-19(11-8-15)28-25-29-21-3-1-2-4-22(21)30-25/h5-14,21-22H,1-4H2,(H3,26,27)(H2,28,29,30)