5-[2-[[(4-carbamimidoylphenyl)amino]methoxy]-2-oxidanylidene-ethyl]-2,3-dimethoxy-benzoate ethanoate

Systemtic Name: 5-[2-[[(4-carbamimidoylphenyl)amino]methoxy]-2-oxidanylidene-ethyl]-2,3-dimethoxy-benzoate ethanoate Openeye Name: 5-[2-[(4-carbamimidoylanilino)methoxy]-2-oxo-ethyl]-2,3-dimethoxy-benzoate acetate CAS Name: 5-[2-[(4-carbamimidoylanilino)methoxy]-2-oxoethyl]-2,3-dimethoxybenzoate acetate IUPAC Name: 5-[2-[(4-carbamimidoylanilino)methoxy]-2-oxoethyl]-2,3-dimethoxybenzoate acetate Traditional Name: 5-[2-[(4-amidinoanilino)methoxy]-2-keto-ethyl]-2,3-dimethoxy-benzoate acetate Formula: C21H23N3O8-2 MolecularWeight: 445.42262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].COC1=C(C(=CC(=C1)CC(=O)OCNC2=CC=C(C=C2)C(=N)N)C(=O)[O-])OC

Isomeric SMILES

CC(=O)[O-].COC1=C(C(=CC(=C1)CC(=O)OCNC2=CC=C(C=C2)C(=N)N)C(=O)[O-])OC

InChI

InChI=1S/C19H21N3O6.C2H4O2/c1-26-15-8-11(7-14(19(24)25)17(15)27-2)9-16(23)28-10-22-13-5-3-12(4-6-13)18(20)21;1-2(3)4/h3-8,22H,9-10H2,1-2H3,(H3,20,21)(H,24,25);1H3,(H,3,4)/p-2