3-[4-[4-(4-carbamimidoylphenyl)phenyl]-3,5-dimethyl-2-oxidanylidene-imidazol-1-yl]propanoic acid

Systemtic Name: 3-[4-[4-(4-carbamimidoylphenyl)phenyl]-3,5-dimethyl-2-oxidanylidene-imidazol-1-yl]propanoic acid Openeye Name: 3-[4-[4-(4-carbamimidoylphenyl)phenyl]-3,5-dimethyl-2-oxo-imidazol-1-yl]propanoic acid CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)phenyl]-3,5-dimethyl-2-oxo-1-imidazolyl]propanoic acid IUPAC Name: 3-[4-[4-(4-carbamimidoylphenyl)phenyl]-3,5-dimethyl-2-oxoimidazol-1-yl]propanoic acid Traditional Name: 3-[4-[4-(4-amidinophenyl)phenyl]-2-keto-3,5-dimethyl-4-imidazolin-1-yl]propionic acid Formula: C21H22N4O3 MolecularWeight: 378.42438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)N1CCC(=O)O)C)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=C(N(C(=O)N1CCC(=O)O)C)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H22N4O3/c1-13-19(24(2)21(28)25(13)12-11-18(26)27)16-7-3-14(4-8-16)15-5-9-17(10-6-15)20(22)23/h3-10H,11-12H2,1-2H3,(H3,22,23)(H,26,27)