methyl 3-[2-(4-carbamimidoylphenyl)-3-(2-oxidanylidene-1,3-diazinan-1-yl)phenyl]propanoate

Systemtic Name: methyl 3-[2-(4-carbamimidoylphenyl)-3-(2-oxidanylidene-1,3-diazinan-1-yl)phenyl]propanoate Openeye Name: methyl 3-[2-(4-carbamimidoylphenyl)-3-(2-oxohexahydropyrimidin-1-yl)phenyl]propanoate CAS Name: 3-[2-(4-carbamimidoylphenyl)-3-(2-oxo-1,3-diazinan-1-yl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-carbamimidoylphenyl)-3-(2-oxo-1,3-diazinan-1-yl)phenyl]propanoate Traditional Name: 3-[2-(4-amidinophenyl)-3-(2-ketohexahydropyrimidin-1-yl)phenyl]propionic acid methyl ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C(=CC=C1)N2CCCNC2=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=C(C(=CC=C1)N2CCCNC2=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H24N4O3/c1-28-18(26)11-10-14-4-2-5-17(25-13-3-12-24-21(25)27)19(14)15-6-8-16(9-7-15)20(22)23/h2,4-9H,3,10-13H2,1H3,(H3,22,23)(H,24,27)