2-[(4-carbamimidoylphenyl)amino]-2-[5-methoxy-2-(2-phenylethanoylamino)-4-phenylmethoxy-phenyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[5-methoxy-2-(2-phenylethanoylamino)-4-phenylmethoxy-phenyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-benzyloxy-5-methoxy-2-[(2-phenylacetyl)amino]phenyl]-2-(4-carbamimidoylanilino)acetamide CAS Name: 2-(4-carbamimidoylanilino)-2-[5-methoxy-2-[(1-oxo-2-phenylethyl)amino]-4-phenylmethoxyphenyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(4-carbamimidoylanilino)-2-[5-methoxy-2-[(2-phenylacetyl)amino]-4-phenylmethoxyphenyl]acetamide Traditional Name: 2-(4-amidinoanilino)-2-[4-benzoxy-5-methoxy-2-[(2-phenylacetyl)amino]phenyl]-N-benzyl-acetamide Formula: C38H37N5O4 MolecularWeight: 627.73148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)NC(=O)CC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)NC(=O)CC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C38H37N5O4/c1-46-33-22-31(36(38(45)41-24-27-13-7-3-8-14-27)42-30-19-17-29(18-20-30)37(39)40)32(43-35(44)21-26-11-5-2-6-12-26)23-34(33)47-25-28-15-9-4-10-16-28/h2-20,22-23,36,42H,21,24-25H2,1H3,(H3,39,40)(H,41,45)(H,43,44)