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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethyl-4-(2-oxidanylcyclopentyl)oxy-phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-4-(2-hydroxycyclopentoxy)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-4-(2-hydroxycyclopentyl)oxyphenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-4-(2-hydroxycyclopentyl)oxyphenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-ethyl-4-(2-hydroxycyclopentoxy)phenyl]acetic acid Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OC3CCCC3O

Isomeric SMILES

CCC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OC3CCCC3O

InChI

InChI=1S/C22H27N3O4/c1-2-13-12-15(8-11-18(13)29-19-5-3-4-17(19)26)20(22(27)28)25-16-9-6-14(7-10-16)21(23)24/h6-12,17,19-20,25-26H,2-5H2,1H3,(H3,23,24)(H,27,28)