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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-ethoxy-4-phenylmethoxy-phenyl)ethanoic acid Openeye Name: 2-(4-benzyloxy-3-ethoxy-phenyl)-2-(4-carbamimidoylanilino)acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-(3-ethoxy-4-phenylmethoxyphenyl)acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-ethoxy-4-phenylmethoxyphenyl)acetic acid Traditional Name: 2-(4-amidinoanilino)-2-(4-benzoxy-3-ethoxy-phenyl)acetic acid Formula: C24H25N3O4 MolecularWeight: 419.473

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)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCC3=CC=CC=C3

InChI

InChI=1S/C24H25N3O4/c1-2-30-21-14-18(10-13-20(21)31-15-16-6-4-3-5-7-16)22(24(28)29)27-19-11-8-17(9-12-19)23(25)26/h3-14,22,27H,2,15H2,1H3,(H3,25,26)(H,28,29)