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

Systemtic Name: methyl 3-[4-[3-(2-carbamimidoyl-4-methyl-phenyl)-2-oxidanylidene-imidazolidin-4-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[3-(2-carbamimidoyl-4-methyl-phenyl)-2-oxo-imidazolidin-4-yl]phenyl]propanoate CAS Name: 3-[4-[3-(2-carbamimidoyl-4-methylphenyl)-2-oxo-4-imidazolidinyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(2-carbamimidoyl-4-methylphenyl)-2-oxoimidazolidin-4-yl]phenyl]propanoate Traditional Name: 3-[4-[3-(2-amidino-4-methyl-phenyl)-2-keto-imidazolidin-4-yl]phenyl]propionic acid methyl ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(CNC2=O)C3=CC=C(C=C3)CCC(=O)OC)C(=N)N

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(CNC2=O)C3=CC=C(C=C3)CCC(=O)OC)C(=N)N

InChI

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