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

Systemtic Name: 4-[3-[1-[(4-carbamimidoylphenyl)amino]-2-ethoxy-2-oxidanylidene-ethyl]-5-ethoxy-phenoxy]butanoic acid Openeye Name: 4-[3-[1-(4-carbamimidoylanilino)-2-ethoxy-2-oxo-ethyl]-5-ethoxy-phenoxy]butanoic acid CAS Name: 4-[3-[1-(4-carbamimidoylanilino)-2-ethoxy-2-oxoethyl]-5-ethoxyphenoxy]butanoic acid IUPAC Name: 4-[3-[1-(4-carbamimidoylanilino)-2-ethoxy-2-oxoethyl]-5-ethoxyphenoxy]butanoic acid Traditional Name: 4-[3-[1-(4-amidinoanilino)-2-ethoxy-2-keto-ethyl]-5-ethoxy-phenoxy]butyric acid Formula: C23H29N3O6 MolecularWeight: 443.49286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O6/c1-3-30-18-12-16(13-19(14-18)32-11-5-6-20(27)28)21(23(29)31-4-2)26-17-9-7-15(8-10-17)22(24)25/h7-10,12-14,21,26H,3-6,11H2,1-2H3,(H3,24,25)(H,27,28)