5-[2-[1-[(4-carbamimidoylphenyl)amino]-2-oxidanyl-2-oxidanylidene-ethyl]-4-ethoxy-phenoxy]pentanoic acid

Systemtic Name: 5-[2-[1-[(4-carbamimidoylphenyl)amino]-2-oxidanyl-2-oxidanylidene-ethyl]-4-ethoxy-phenoxy]pentanoic acid Openeye Name: 5-[2-[1-(4-carbamimidoylanilino)-2-hydroxy-2-oxo-ethyl]-4-ethoxy-phenoxy]pentanoic acid CAS Name: 5-[2-[1-(4-carbamimidoylanilino)-2-hydroxy-2-oxoethyl]-4-ethoxyphenoxy]pentanoic acid IUPAC Name: 5-[2-[1-(4-carbamimidoylanilino)-2-hydroxy-2-oxoethyl]-4-ethoxyphenoxy]pentanoic acid Traditional Name: 5-[2-[1-(4-amidinoanilino)-2-hydroxy-2-keto-ethyl]-4-ethoxy-phenoxy]valeric acid Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6/c1-2-30-16-10-11-18(31-12-4-3-5-19(26)27)17(13-16)20(22(28)29)25-15-8-6-14(7-9-15)21(23)24/h6-11,13,20,25H,2-5,12H2,1H3,(H3,23,24)(H,26,27)(H,28,29)