methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-phenylimino-imidazolidin-1-yl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-phenylimino-imidazolidin-1-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-phenylimino-imidazolidin-1-yl]phenyl]propanoate CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-phenylimino-1-imidazolidinyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-phenyliminoimidazolidin-1-yl]phenyl]propanoate Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-phenylimino-imidazolidin-1-yl]phenyl]propionic acid methyl ester Formula: C26H27N5O2 MolecularWeight: 441.52488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N2CCN(C2=NC3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N2CCN(C2=NC3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H27N5O2/c1-33-24(32)16-9-19-7-12-22(13-8-19)30-17-18-31(23-14-10-20(11-15-23)25(27)28)26(30)29-21-5-3-2-4-6-21/h2-8,10-15H,9,16-18H2,1H3,(H3,27,28)