methyl 3-[4-[3-(4-carbamimidoyl-2-methoxy-phenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[3-(4-carbamimidoyl-2-methoxy-phenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[3-(4-carbamimidoyl-2-methoxy-phenyl)-2-oxo-imidazolidin-1-yl]phenyl]propanoate CAS Name: 3-[4-[3-(4-carbamimidoyl-2-methoxyphenyl)-2-oxo-1-imidazolidinyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-carbamimidoyl-2-methoxyphenyl)-2-oxoimidazolidin-1-yl]phenyl]propanoate Traditional Name: 3-[4-[3-(4-amidino-2-methoxy-phenyl)-2-keto-imidazolidin-1-yl]phenyl]propionic acid methyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=N)N)N2CCN(C2=O)C3=CC=C(C=C3)CCC(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C(=N)N)N2CCN(C2=O)C3=CC=C(C=C3)CCC(=O)OC

InChI

InChI=1S/C21H24N4O4/c1-28-18-13-15(20(22)23)6-9-17(18)25-12-11-24(21(25)27)16-7-3-14(4-8-16)5-10-19(26)29-2/h3-4,6-9,13H,5,10-12H2,1-2H3,(H3,22,23)