2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)-N-(2-oxidanyl-1-phenyl-ethyl)ethanamide ethanoate

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)-N-(2-oxidanyl-1-phenyl-ethyl)ethanamide ethanoate Openeye Name: 2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoylanilino)-N-(2-hydroxy-1-phenyl-ethyl)acetamide acetate CAS Name: 2-(4-carbamimidoylanilino)-N-(2-hydroxy-1-phenylethyl)-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide acetate IUPAC Name: 2-(4-carbamimidoylanilino)-N-(2-hydroxy-1-phenylethyl)-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide acetate Traditional Name: 2-(4-amidinoanilino)-2-(4-benzoxy-3-methoxy-phenyl)-N-(2-hydroxy-1-phenyl-ethyl)acetamide acetate Formula: C33H35N4O6- MolecularWeight: 583.6542

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H32N4O4.C2H4O2/c1-38-28-18-24(14-17-27(28)39-20-21-8-4-2-5-9-21)29(34-25-15-12-23(13-16-25)30(32)33)31(37)35-26(19-36)22-10-6-3-7-11-22;1-2(3)4/h2-18,26,29,34,36H,19-20H2,1H3,(H3,32,33)(H,35,37);1H3,(H,3,4)/p-1