4-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylcarbamoyl]benzoic acid hydrochloride

Systemtic Name: 4-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylcarbamoyl]benzoic acid hydrochloride Openeye Name: 4-[[5-[(6-carbamimidoyl-2-naphthyl)oxycarbonyl]-2-furyl]methylcarbamoyl]benzoic acid hydrochloride CAS Name: 4-[[[5-[(6-carbamimidoyl-2-naphthalenyl)oxy-oxomethyl]-2-furanyl]methylamino]-oxomethyl]benzoic acid hydrochloride IUPAC Name: 4-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylcarbamoyl]benzoic acid hydrochloride Traditional Name: 4-[[5-(6-amidino-2-naphthoxy)carbonyl-2-furyl]methylcarbamoyl]benzoic acid hydrochloride Formula: C25H20ClN3O6 MolecularWeight: 493.8958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCC2=CC=C(O2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N)C(=O)O.Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCC2=CC=C(O2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N)C(=O)O.Cl

InChI

InChI=1S/C25H19N3O6.ClH/c26-22(27)18-6-5-17-12-19(8-7-16(17)11-18)34-25(32)21-10-9-20(33-21)13-28-23(29)14-1-3-15(4-2-14)24(30)31;/h1-12H,13H2,(H3,26,27)(H,28,29)(H,30,31);1H