2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenethyloxy-phenyl)-N-(phenylmethyl)ethanamide; ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenethyloxy-phenyl)-N-(phenylmethyl)ethanamide; ethanoic acid Openeye Name: acetic acid; N-benzyl-2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenethyloxy-phenyl)acetamide CAS Name: acetic acid; 2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenethyloxyphenyl)-N-(phenylmethyl)acetamide IUPAC Name: acetic acid; N-benzyl-2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenethyloxyphenyl)acetamide Traditional Name: acetic acid; 2-(4-amidinoanilino)-N-benzyl-2-(3-methoxy-4-phenethyloxy-phenyl)acetamide Formula: C33H36N4O5 MolecularWeight: 568.66274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC1=C(C=CC(=C1)C(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)OCCC4=CC=CC=C4

Isomeric SMILES

CC(=O)O.COC1=C(C=CC(=C1)C(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)OCCC4=CC=CC=C4

InChI

InChI=1S/C31H32N4O3.C2H4O2/c1-37-28-20-25(14-17-27(28)38-19-18-22-8-4-2-5-9-22)29(31(36)34-21-23-10-6-3-7-11-23)35-26-15-12-24(13-16-26)30(32)33;1-2(3)4/h2-17,20,29,35H,18-19,21H2,1H3,(H3,32,33)(H,34,36);1H3,(H,3,4)