2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-4-(3-phenoxypropoxy)phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-4-(3-phenoxypropoxy)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-4-(3-phenoxypropoxy)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-4-(3-phenoxypropoxy)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-4-(3-phenoxypropoxy)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-ethoxy-4-(3-phenoxypropoxy)phenyl]acetic acid Formula: C26H29N3O5 MolecularWeight: 463.52556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCCCOC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCCCOC3=CC=CC=C3

InChI

InChI=1S/C26H29N3O5/c1-2-32-23-17-19(24(26(30)31)29-20-12-9-18(10-13-20)25(27)28)11-14-22(23)34-16-6-15-33-21-7-4-3-5-8-21/h3-5,7-14,17,24,29H,2,6,15-16H2,1H3,(H3,27,28)(H,30,31)