methyl (E)-3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazol-1-yl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolyl]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[3-(4-carbamimidoylphenyl)-2-oxoimidazol-1-yl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[3-(4-amidinophenyl)-2-keto-4-imidazolin-1-yl]phenyl]acrylic acid methyl ester Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O3/c1-27-18(25)11-4-14-2-7-16(8-3-14)23-12-13-24(20(23)26)17-9-5-15(6-10-17)19(21)22/h2-13H,1H3,(H3,21,22)/b11-4+