2-[5-[2-[(4-carbamimidoylphenyl)methylamino]-1-methoxy-2-oxidanylidene-ethyl]-2-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[5-[2-[(4-carbamimidoylphenyl)methylamino]-1-methoxy-2-oxidanylidene-ethyl]-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[5-[2-[(4-carbamimidoylphenyl)methylamino]-1-methoxy-2-oxo-ethyl]-2-methoxy-phenoxy]acetic acid CAS Name: 2-[5-[2-[(4-carbamimidoylphenyl)methylamino]-1-methoxy-2-oxoethyl]-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[5-[2-[(4-carbamimidoylphenyl)methylamino]-1-methoxy-2-oxoethyl]-2-methoxyphenoxy]acetic acid Traditional Name: 2-[5-[2-[(4-amidinobenzyl)amino]-2-keto-1-methoxy-ethyl]-2-methoxy-phenoxy]acetic acid Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(=O)NCC2=CC=C(C=C2)C(=N)N)OC)OCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(C(=O)NCC2=CC=C(C=C2)C(=N)N)OC)OCC(=O)O

InChI

InChI=1S/C20H23N3O6/c1-27-15-8-7-14(9-16(15)29-11-17(24)25)18(28-2)20(26)23-10-12-3-5-13(6-4-12)19(21)22/h3-9,18H,10-11H2,1-2H3,(H3,21,22)(H,23,26)(H,24,25)