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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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