(6-carbamimidoylnaphthalen-2-yl) 5-[[(4-methoxy-4-oxidanylidene-butanoyl)amino]methyl]furan-2-carboxylate

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) 5-[[(4-methoxy-4-oxidanylidene-butanoyl)amino]methyl]furan-2-carboxylate Openeye Name: (6-carbamimidoyl-2-naphthyl) 5-[[(4-methoxy-4-oxo-butanoyl)amino]methyl]furan-2-carboxylate CAS Name: 5-[[(4-methoxy-1,4-dioxobutyl)amino]methyl]-2-furancarboxylic acid (6-carbamimidoyl-2-naphthalenyl) ester IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 5-[[(4-methoxy-4-oxobutanoyl)amino]methyl]furan-2-carboxylate Traditional Name: 5-[[(4-keto-4-methoxy-butanoyl)amino]methyl]furan-2-carboxylic acid (6-amidino-2-naphthyl) ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O6/c1-29-20(27)9-8-19(26)25-12-17-6-7-18(30-17)22(28)31-16-5-4-13-10-15(21(23)24)3-2-14(13)11-16/h2-7,10-11H,8-9,12H2,1H3,(H3,23,24)(H,25,26)