2-[2-(2-azanyl-2-oxidanylidene-ethoxy)-4,5-diethoxy-phenyl]-2-[(4-carbamimidoylphenyl)amino]ethanoic acid

Systemtic Name: 2-[2-(2-azanyl-2-oxidanylidene-ethoxy)-4,5-diethoxy-phenyl]-2-[(4-carbamimidoylphenyl)amino]ethanoic acid Openeye Name: 2-[2-(2-amino-2-oxo-ethoxy)-4,5-diethoxy-phenyl]-2-(4-carbamimidoylanilino)acetic acid CAS Name: 2-[2-(2-amino-2-oxoethoxy)-4,5-diethoxyphenyl]-2-(4-carbamimidoylanilino)acetic acid IUPAC Name: 2-[2-(2-amino-2-oxoethoxy)-4,5-diethoxyphenyl]-2-(4-carbamimidoylanilino)acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[2-(2-amino-2-keto-ethoxy)-4,5-diethoxy-phenyl]acetic acid Formula: C21H26N4O6 MolecularWeight: 430.45434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCC(=O)N)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCC(=O)N)OCC

InChI

InChI=1S/C21H26N4O6/c1-3-29-16-9-14(15(31-11-18(22)26)10-17(16)30-4-2)19(21(27)28)25-13-7-5-12(6-8-13)20(23)24/h5-10,19,25H,3-4,11H2,1-2H3,(H2,22,26)(H3,23,24)(H,27,28)