2-[(4-carbamimidoylphenyl)amino]-2-[5-ethyl-2-(oxan-4-yloxy)phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[5-ethyl-2-(oxan-4-yloxy)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-(5-ethyl-2-tetrahydropyran-4-yloxy-phenyl)acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-(4-oxanyloxy)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-(oxan-4-yloxy)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-(5-ethyl-2-tetrahydropyran-4-yloxy-phenyl)acetic acid Formula: C22H27N3O4 MolecularWeight: 397.46748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OC2CCOCC2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCC1=CC(=C(C=C1)OC2CCOCC2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H27N3O4/c1-2-14-3-8-19(29-17-9-11-28-12-10-17)18(13-14)20(22(26)27)25-16-6-4-15(5-7-16)21(23)24/h3-8,13,17,20,25H,2,9-12H2,1H3,(H3,23,24)(H,26,27)