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

Systemtic Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-hexahydropyrimidin-1-yl]phenyl]propanoate CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1,3-diazinan-1-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1,3-diazinan-1-yl]phenyl]propanoate Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-hexahydropyrimidin-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=CC=C(C=C1)N2CCCN(C2=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N2CCCN(C2=O)C3=CC=C(C=C3)C(=N)N

InChI

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