4-[(E)-3-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-[[5-[(6-carbamimidoyl-2-naphthyl)oxycarbonyl]-2-furyl]methylamino]-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-[[5-[(6-carbamimidoyl-2-naphthalenyl)oxy-oxomethyl]-2-furanyl]methylamino]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-[[5-(6-amidino-2-naphthoxy)carbonyl-2-furyl]methylamino]-3-keto-prop-1-enyl]benzoic acid Formula: C27H21N3O6 MolecularWeight: 483.47214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=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=C1/C=C/C(=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/C27H21N3O6/c28-25(29)20-7-6-19-14-21(9-8-18(19)13-20)36-27(34)23-11-10-22(35-23)15-30-24(31)12-3-16-1-4-17(5-2-16)26(32)33/h1-14H,15H2,(H3,28,29)(H,30,31)(H,32,33)/b12-3+