methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]phenyl]-2-methoxy-propanoate

Systemtic Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]phenyl]-2-methoxy-propanoate Openeye Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazol-1-yl]phenyl]-2-methoxy-propanoate CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolyl]phenyl]-2-methoxypropanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxoimidazol-1-yl]phenyl]-2-methoxypropanoate Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-4-imidazolin-1-yl]phenyl]-2-methoxy-propionic acid methyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=CC=C(C=C1)N2C=CN(C2=O)C3=CC=C(C=C3)C(=N)N)C(=O)OC

Isomeric SMILES

COC(CC1=CC=C(C=C1)N2C=CN(C2=O)C3=CC=C(C=C3)C(=N)N)C(=O)OC

InChI

InChI=1S/C21H22N4O4/c1-28-18(20(26)29-2)13-14-3-7-16(8-4-14)24-11-12-25(21(24)27)17-9-5-15(6-10-17)19(22)23/h3-12,18H,13H2,1-2H3,(H3,22,23)