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

Systemtic Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]-3-methyl-butanoate Openeye Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]phenyl]-3-methyl-butanoate CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]phenyl]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]phenyl]-3-methylbutanoate Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]phenyl]-3-methyl-butyric acid methyl ester Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3/c1-22(2,14-19(27)29-3)16-6-10-18(11-7-16)26-13-12-25(21(26)28)17-8-4-15(5-9-17)20(23)24/h4-11H,12-14H2,1-3H3,(H3,23,24)