N-[(4-carbamimidoylphenyl)methyl]-2-[2-methoxy-3-(phenethylamino)-6-phenyl-phenyl]ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[2-methoxy-3-(phenethylamino)-6-phenyl-phenyl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[2-methoxy-3-(phenethylamino)-6-phenyl-phenyl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[2-methoxy-3-(phenethylamino)-6-phenylphenyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[2-methoxy-3-(phenethylamino)-6-phenylphenyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[2-methoxy-3-(phenethylamino)-6-phenyl-phenyl]acetamide Formula: C31H32N4O2 MolecularWeight: 492.61138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC=CC=C3)NCCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC=CC=C3)NCCC4=CC=CC=C4

InChI

InChI=1S/C31H32N4O2/c1-37-30-27(20-29(36)35-21-23-12-14-25(15-13-23)31(32)33)26(24-10-6-3-7-11-24)16-17-28(30)34-19-18-22-8-4-2-5-9-22/h2-17,34H,18-21H2,1H3,(H3,32,33)(H,35,36)