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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(2-oxidanylcyclopentyl)oxy-phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(2-hydroxycyclopentoxy)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(2-hydroxycyclopentyl)oxyphenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(2-hydroxycyclopentyl)oxyphenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-ethoxy-5-(2-hydroxycyclopentoxy)phenyl]acetic acid Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OC2CCCC2O)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1)OC2CCCC2O)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H27N3O5/c1-2-29-16-10-14(11-17(12-16)30-19-5-3-4-18(19)26)20(22(27)28)25-15-8-6-13(7-9-15)21(23)24/h6-12,18-20,25-26H,2-5H2,1H3,(H3,23,24)(H,27,28)