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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)-N-(1-phenylethyl)ethanamide ethanoate Openeye Name: 2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoylanilino)-N-(1-phenylethyl)acetamide acetate CAS Name: 2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)-N-(1-phenylethyl)acetamide acetate IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)-N-(1-phenylethyl)acetamide acetate Traditional Name: 2-(4-amidinoanilino)-2-(4-benzoxy-3-methoxy-phenyl)-N-(1-phenylethyl)acetamide acetate Formula: C33H35N4O5- MolecularWeight: 567.6548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)NC4=CC=C(C=C4)C(=N)N.CC(=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)NC4=CC=C(C=C4)C(=N)N.CC(=O)[O-]

InChI

InChI=1S/C31H32N4O3.C2H4O2/c1-21(23-11-7-4-8-12-23)34-31(36)29(35-26-16-13-24(14-17-26)30(32)33)25-15-18-27(28(19-25)37-2)38-20-22-9-5-3-6-10-22;1-2(3)4/h3-19,21,29,35H,20H2,1-2H3,(H3,32,33)(H,34,36);1H3,(H,3,4)/p-1