2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)-N-phenyl-ethanamide ethanoate

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)-N-phenyl-ethanamide ethanoate Openeye Name: 2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoylanilino)-N-phenyl-acetamide acetate CAS Name: 2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)-N-phenylacetamide acetate IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)-N-phenylacetamide acetate Traditional Name: 2-(4-amidinoanilino)-2-(4-benzoxy-3-methoxy-phenyl)-N-phenyl-acetamide acetate Formula: C31H31N4O5- MolecularWeight: 539.60164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].COC1=C(C=CC(=C1)C(C(=O)NC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)[O-].COC1=C(C=CC(=C1)C(C(=O)NC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4

InChI

InChI=1S/C29H28N4O3.C2H4O2/c1-35-26-18-22(14-17-25(26)36-19-20-8-4-2-5-9-20)27(29(34)33-23-10-6-3-7-11-23)32-24-15-12-21(13-16-24)28(30)31;1-2(3)4/h2-18,27,32H,19H2,1H3,(H3,30,31)(H,33,34);1H3,(H,3,4)/p-1