3-[4-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylcarbamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylcarbamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[5-[(6-carbamimidoyl-2-naphthyl)oxycarbonyl]-2-furyl]methylcarbamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[[5-[(6-carbamimidoyl-2-naphthalenyl)oxy-oxomethyl]-2-furanyl]methylamino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylcarbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[5-(6-amidino-2-naphthoxy)carbonyl-2-furyl]methylcarbamoyl]phenyl]propionic acid Formula: C27H23N3O6 MolecularWeight: 485.48802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)C(=O)NCC2=CC=C(O2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)C(=O)NCC2=CC=C(O2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N

InChI

InChI=1S/C27H23N3O6/c28-25(29)20-7-6-19-14-21(9-8-18(19)13-20)36-27(34)23-11-10-22(35-23)15-30-26(33)17-4-1-16(2-5-17)3-12-24(31)32/h1-2,4-11,13-14H,3,12,15H2,(H3,28,29)(H,30,33)(H,31,32)