methyl 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenyl]propanoate; (3-oxidanylideneoxiran-2-yl) butanoate

Systemtic Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenyl]propanoate; (3-oxidanylideneoxiran-2-yl) butanoate Openeye Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenyl]propanoate; (3-oxooxiran-2-yl) butanoate CAS Name: butanoic acid (3-oxo-2-oxiranyl) ester; 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-2-imidazolyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-1-methylimidazol-2-yl]phenyl]propanoate; (3-oxooxiran-2-yl) butanoate Traditional Name: 3-[4-[4-(4-amidinophenyl)-1-methyl-imidazol-2-yl]phenyl]propionic acid methyl ester; butyric acid (3-ketooxiran-2-yl) ester Formula: C27H30N4O6 MolecularWeight: 506.5503

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1C(=O)O1.CN1C=C(N=C1C2=CC=C(C=C2)CCC(=O)OC)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCCC(=O)OC1C(=O)O1.CN1C=C(N=C1C2=CC=C(C=C2)CCC(=O)OC)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H22N4O2.C6H8O4/c1-25-13-18(15-8-10-16(11-9-15)20(22)23)24-21(25)17-6-3-14(4-7-17)5-12-19(26)27-2;1-2-3-4(7)9-6-5(8)10-6/h3-4,6-11,13H,5,12H2,1-2H3,(H3,22,23);6H,2-3H2,1H3