4-[3-[1-[(4-carbamimidoylphenyl)amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5-ethoxy-phenoxy]butanoic acid

Systemtic Name: 4-[3-[1-[(4-carbamimidoylphenyl)amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5-ethoxy-phenoxy]butanoic acid Openeye Name: 4-[3-[1-(4-carbamimidoylanilino)-2-hydroxy-2-oxo-ethyl]-5-ethoxy-phenoxy]butanoic acid CAS Name: 4-[3-[1-(4-carbamimidoylanilino)-2-hydroxy-2-oxoethyl]-5-ethoxyphenoxy]butanoic acid IUPAC Name: 4-[3-[1-(4-carbamimidoylanilino)-2-hydroxy-2-oxoethyl]-5-ethoxyphenoxy]butanoic acid Traditional Name: 4-[3-[1-(4-amidinoanilino)-2-hydroxy-2-keto-ethyl]-5-ethoxy-phenoxy]butyric acid Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6/c1-2-29-16-10-14(11-17(12-16)30-9-3-4-18(25)26)19(21(27)28)24-15-7-5-13(6-8-15)20(22)23/h5-8,10-12,19,24H,2-4,9H2,1H3,(H3,22,23)(H,25,26)(H,27,28)