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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(2-cyclopentyloxy-5-ethyl-3-propyl-phenyl)ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[2-(cyclopentoxy)-5-ethyl-3-propyl-phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-(2-cyclopentyloxy-5-ethyl-3-propylphenyl)acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-(2-cyclopentyloxy-5-ethyl-3-propylphenyl)acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[2-(cyclopentoxy)-5-ethyl-3-propyl-phenyl]acetic acid Formula: C25H33N3O3 MolecularWeight: 423.54782

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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)OC3CCCC3

Isomeric SMILES

CCCC1=C(C(=CC(=C1)CC)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OC3CCCC3

InChI

InChI=1S/C25H33N3O3/c1-3-7-18-14-16(4-2)15-21(23(18)31-20-8-5-6-9-20)22(25(29)30)28-19-12-10-17(11-13-19)24(26)27/h10-15,20,22,28H,3-9H2,1-2H3,(H3,26,27)(H,29,30)