methyl 3-[2-[2-(4-carbamimidoylphenyl)phenoxy]ethyl-ethanoyl-amino]propanoate

Systemtic Name: methyl 3-[2-[2-(4-carbamimidoylphenyl)phenoxy]ethyl-ethanoyl-amino]propanoate Openeye Name: methyl 3-[acetyl-[2-[2-(4-carbamimidoylphenyl)phenoxy]ethyl]amino]propanoate CAS Name: 3-[acetyl-[2-[2-(4-carbamimidoylphenyl)phenoxy]ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[acetyl-[2-[2-(4-carbamimidoylphenyl)phenoxy]ethyl]amino]propanoate Traditional Name: 3-[acetyl-[2-[2-(4-amidinophenyl)phenoxy]ethyl]amino]propionic acid methyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCC(=O)OC)CCOC1=CC=CC=C1C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(=O)N(CCC(=O)OC)CCOC1=CC=CC=C1C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H25N3O4/c1-15(25)24(12-11-20(26)27-2)13-14-28-19-6-4-3-5-18(19)16-7-9-17(10-8-16)21(22)23/h3-10H,11-14H2,1-2H3,(H3,22,23)