2-[(4-carbamimidoylphenyl)amino]-2-[3-(2-cyclohexylethoxy)-5-ethoxy-phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-(2-cyclohexylethoxy)-5-ethoxy-phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-(2-cyclohexylethoxy)-5-ethoxy-phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-(2-cyclohexylethoxy)-5-ethoxyphenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-(2-cyclohexylethoxy)-5-ethoxyphenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-(2-cyclohexylethoxy)-5-ethoxy-phenyl]acetic acid Formula: C25H33N3O4 MolecularWeight: 439.54722

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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)OCCC3CCCCC3

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCCC3CCCCC3

InChI

InChI=1S/C25H33N3O4/c1-2-31-21-14-19(15-22(16-21)32-13-12-17-6-4-3-5-7-17)23(25(29)30)28-20-10-8-18(9-11-20)24(26)27/h8-11,14-17,23,28H,2-7,12-13H2,1H3,(H3,26,27)(H,29,30)