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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)N1C2=CC=C(C=C2)C(=N)N)C)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CC1=C(N(C(=O)N1C2=CC=C(C=C2)C(=N)N)C)C3=CC=C(C=C3)CCC(=O)O

InChI

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