20-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-20-oxidanylidene-icosanoic acid hydrochloride

Systemtic Name: 20-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-20-oxidanylidene-icosanoic acid hydrochloride Openeye Name: 20-[[5-[(6-carbamimidoyl-2-naphthyl)oxycarbonyl]-2-furyl]methylamino]-20-oxo-icosanoic acid hydrochloride CAS Name: 20-[[5-[(6-carbamimidoyl-2-naphthalenyl)oxy-oxomethyl]-2-furanyl]methylamino]-20-oxoeicosanoic acid hydrochloride IUPAC Name: 20-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-20-oxoicosanoic acid hydrochloride Traditional Name: 20-[[5-(6-amidino-2-naphthoxy)carbonyl-2-furyl]methylamino]-20-keto-arachidic acid hydrochloride Formula: C37H52ClN3O6 MolecularWeight: 670.27828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H51N3O6.ClH/c38-36(39)30-20-19-29-26-31(22-21-28(29)25-30)46-37(44)33-24-23-32(45-33)27-40-34(41)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-35(42)43;/h19-26H,1-18,27H2,(H3,38,39)(H,40,41)(H,42,43);1H