2-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylcarbamoyl]butanoic acid

Systemtic Name: 2-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylcarbamoyl]butanoic acid Openeye Name: 2-[[5-[(6-carbamimidoyl-2-naphthyl)oxycarbonyl]-2-furyl]methylcarbamoyl]butanoic acid CAS Name: 2-[[[5-[(6-carbamimidoyl-2-naphthalenyl)oxy-oxomethyl]-2-furanyl]methylamino]-oxomethyl]butanoic acid IUPAC Name: 2-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylcarbamoyl]butanoic acid Traditional Name: 2-[[5-(6-amidino-2-naphthoxy)carbonyl-2-furyl]methylcarbamoyl]butyric acid Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=C(O1)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CCC(C(=O)NCC1=CC=C(O1)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C22H21N3O6/c1-2-17(21(27)28)20(26)25-11-16-7-8-18(30-16)22(29)31-15-6-5-12-9-14(19(23)24)4-3-13(12)10-15/h3-10,17H,2,11H2,1H3,(H3,23,24)(H,25,26)(H,27,28)