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

Systemtic Name: N-[2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethyl]-2-chloranyl-ethanamide Openeye Name: N-[2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoylanilino)ethyl]-2-chloro-acetamide CAS Name: N-[2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-chloroacetamide IUPAC Name: N-[2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-chloroacetamide Traditional Name: N-[2-(4-amidinoanilino)-2-(4-benzoxy-3-methoxy-phenyl)ethyl]-2-chloro-acetamide Formula: C25H27ClN4O3 MolecularWeight: 466.95988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(CNC(=O)CCl)NC2=CC=C(C=C2)C(=N)N)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C(CNC(=O)CCl)NC2=CC=C(C=C2)C(=N)N)OCC3=CC=CC=C3

InChI

InChI=1S/C25H27ClN4O3/c1-32-23-13-19(9-12-22(23)33-16-17-5-3-2-4-6-17)21(15-29-24(31)14-26)30-20-10-7-18(8-11-20)25(27)28/h2-13,21,30H,14-16H2,1H3,(H3,27,28)(H,29,31)