3-[4-[3-(2-carbamimidoyl-4-methyl-phenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[3-(2-carbamimidoyl-4-methyl-phenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[3-(2-carbamimidoyl-4-methyl-phenyl)-2-oxo-imidazolidin-1-yl]phenyl]propanoic acid CAS Name: 3-[4-[3-(2-carbamimidoyl-4-methylphenyl)-2-oxo-1-imidazolidinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(2-carbamimidoyl-4-methylphenyl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[3-(2-amidino-4-methyl-phenyl)-2-keto-imidazolidin-1-yl]phenyl]propionic acid Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)CCC(=O)O)C(=N)N

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)CCC(=O)O)C(=N)N

InChI

InChI=1S/C20H22N4O3/c1-13-2-8-17(16(12-13)19(21)22)24-11-10-23(20(24)27)15-6-3-14(4-7-15)5-9-18(25)26/h2-4,6-8,12H,5,9-11H2,1H3,(H3,21,22)(H,25,26)