2-[(4-carbamimidoylphenyl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanamide

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanamide Openeye Name: 2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoylanilino)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide CAS Name: 2-(4-carbamimidoylanilino)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide IUPAC Name: 2-(4-carbamimidoylanilino)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide Traditional Name: 2-(4-amidinoanilino)-2-(4-benzoxy-3-methoxy-phenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide Formula: C28H30N6O3 MolecularWeight: 498.5762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C(=O)NCCC2=CN=CN2)NC3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C(=O)NCCC2=CN=CN2)NC3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4

InChI

InChI=1S/C28H30N6O3/c1-36-25-15-21(9-12-24(25)37-17-19-5-3-2-4-6-19)26(28(35)32-14-13-23-16-31-18-33-23)34-22-10-7-20(8-11-22)27(29)30/h2-12,15-16,18,26,34H,13-14,17H2,1H3,(H3,29,30)(H,31,33)(H,32,35)