8-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-8-oxidanylidene-octanoic acid hydrochloride

Systemtic Name: 8-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-8-oxidanylidene-octanoic acid hydrochloride Openeye Name: 8-[[5-[(6-carbamimidoyl-2-naphthyl)oxycarbonyl]-2-furyl]methylamino]-8-oxo-octanoic acid hydrochloride CAS Name: 8-[[5-[(6-carbamimidoyl-2-naphthalenyl)oxy-oxomethyl]-2-furanyl]methylamino]-8-oxooctanoic acid hydrochloride IUPAC Name: 8-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-8-oxooctanoic acid hydrochloride Traditional Name: 8-[[5-(6-amidino-2-naphthoxy)carbonyl-2-furyl]methylamino]-8-keto-caprylic acid hydrochloride Formula: C25H28ClN3O6 MolecularWeight: 501.95932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)OC(=O)C3=CC=C(O3)CNC(=O)CCCCCCC(=O)O)C=C1C(=N)N.Cl

Isomeric SMILES

C1=CC2=C(C=CC(=C2)OC(=O)C3=CC=C(O3)CNC(=O)CCCCCCC(=O)O)C=C1C(=N)N.Cl

InChI

InChI=1S/C25H27N3O6.ClH/c26-24(27)18-8-7-17-14-19(10-9-16(17)13-18)34-25(32)21-12-11-20(33-21)15-28-22(29)5-3-1-2-4-6-23(30)31;/h7-14H,1-6,15H2,(H3,26,27)(H,28,29)(H,30,31);1H