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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)-N-phenethyl-ethanamide Openeye Name: 2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoylanilino)-N-phenethyl-acetamide CAS Name: 2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)-N-phenethylacetamide IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)-N-phenethylacetamide Traditional Name: 2-(4-amidinoanilino)-2-(4-benzoxy-3-methoxy-phenyl)-N-phenethyl-acetamide Formula: C31H32N4O3 MolecularWeight: 508.61078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C(=O)NCCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C(=O)NCCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4

InChI

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