2-[(4-carbamimidoylphenyl)amino]-2-[2-(cyclopentylmethoxy)-5-ethyl-3-propyl-phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[2-(cyclopentylmethoxy)-5-ethyl-3-propyl-phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[2-(cyclopentylmethoxy)-5-ethyl-3-propyl-phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[2-(cyclopentylmethoxy)-5-ethyl-3-propylphenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[2-(cyclopentylmethoxy)-5-ethyl-3-propylphenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[2-(cyclopentylmethoxy)-5-ethyl-3-propyl-phenyl]acetic acid Formula: C26H35N3O3 MolecularWeight: 437.5744

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)CC)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCC3CCCC3

Isomeric SMILES

CCCC1=C(C(=CC(=C1)CC)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCC3CCCC3

InChI

InChI=1S/C26H35N3O3/c1-3-7-20-14-17(4-2)15-22(24(20)32-16-18-8-5-6-9-18)23(26(30)31)29-21-12-10-19(11-13-21)25(27)28/h10-15,18,23,29H,3-9,16H2,1-2H3,(H3,27,28)(H,30,31)