4-[2-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 4-[2-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[2-[[5-[(6-carbamimidoyl-2-naphthyl)oxycarbonyl]-2-furyl]methylamino]-2-oxo-ethyl]benzoic acid CAS Name: 4-[2-[[5-[(6-carbamimidoyl-2-naphthalenyl)oxy-oxomethyl]-2-furanyl]methylamino]-2-oxoethyl]benzoic acid IUPAC Name: 4-[2-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-2-oxoethyl]benzoic acid Traditional Name: 4-[2-[[5-(6-amidino-2-naphthoxy)carbonyl-2-furyl]methylamino]-2-keto-ethyl]benzoic acid Formula: C26H21N3O6 MolecularWeight: 471.46144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)NCC2=CC=C(O2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC(=O)NCC2=CC=C(O2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C26H21N3O6/c27-24(28)19-6-5-18-13-20(8-7-17(18)12-19)35-26(33)22-10-9-21(34-22)14-29-23(30)11-15-1-3-16(4-2-15)25(31)32/h1-10,12-13H,11,14H2,(H3,27,28)(H,29,30)(H,31,32)