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

Systemtic Name: ethyl 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxidanylidene-1,3-diazinan-1-yl]propanoate Openeye Name: ethyl 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxo-hexahydropyrimidin-1-yl]propanoate CAS Name: 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxo-1,3-diazinan-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxo-1,3-diazinan-1-yl]propanoate Traditional Name: 3-[3-[4-(4-amidinophenyl)phenyl]-2-keto-hexahydropyrimidin-1-yl]propionic acid ethyl ester Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CCCN(C1=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CCN1CCCN(C1=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

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