9-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-9-oxidanylidene-nonanoic acid hydrochloride

Systemtic Name: 9-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-9-oxidanylidene-nonanoic acid hydrochloride Openeye Name: 9-[[5-[(6-carbamimidoyl-2-naphthyl)oxycarbonyl]-2-furyl]methylamino]-9-oxo-nonanoic acid hydrochloride CAS Name: 9-[[5-[(6-carbamimidoyl-2-naphthalenyl)oxy-oxomethyl]-2-furanyl]methylamino]-9-oxononanoic acid hydrochloride IUPAC Name: 9-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-9-oxononanoic acid hydrochloride Traditional Name: 9-[[5-(6-amidino-2-naphthoxy)carbonyl-2-furyl]methylamino]-9-keto-pelargonic acid hydrochloride Formula: C26H30ClN3O6 MolecularWeight: 515.9859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O6.ClH/c27-25(28)19-9-8-18-15-20(11-10-17(18)14-19)35-26(33)22-13-12-21(34-22)16-29-23(30)6-4-2-1-3-5-7-24(31)32;/h8-15H,1-7,16H2,(H3,27,28)(H,29,30)(H,31,32);1H