3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]-3-methyl-butanoic acid

Systemtic Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]-3-methyl-butanoic acid Openeye Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]phenyl]-3-methyl-butanoic acid CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]phenyl]-3-methylbutanoic acid IUPAC Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]phenyl]-3-methylbutanoic acid Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]phenyl]-3-methyl-butyric acid Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)O)C1=CC=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)(CC(=O)O)C1=CC=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H24N4O3/c1-21(2,13-18(26)27)15-5-9-17(10-6-15)25-12-11-24(20(25)28)16-7-3-14(4-8-16)19(22)23/h3-10H,11-13H2,1-2H3,(H3,22,23)(H,26,27)