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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-ethoxy-5-phenacyloxy-phenyl)ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-(3-ethoxy-5-phenacyloxy-phenyl)acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-(3-ethoxy-5-phenacyloxyphenyl)acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-ethoxy-5-phenacyloxyphenyl)acetic acid Traditional Name: 2-(4-amidinoanilino)-2-(3-ethoxy-5-phenacyloxy-phenyl)acetic acid Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OCC(=O)C2=CC=CC=C2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1)OCC(=O)C2=CC=CC=C2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H25N3O5/c1-2-32-20-12-18(13-21(14-20)33-15-22(29)16-6-4-3-5-7-16)23(25(30)31)28-19-10-8-17(9-11-19)24(26)27/h3-14,23,28H,2,15H2,1H3,(H3,26,27)(H,30,31)