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

Systemtic Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]phenyl]-2-(dimethylamino)propanoate Openeye Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazol-1-yl]phenyl]-2-(dimethylamino)propanoate CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolyl]phenyl]-2-(dimethylamino)propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxoimidazol-1-yl]phenyl]-2-(dimethylamino)propanoate Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-4-imidazolin-1-yl]phenyl]-2-(dimethylamino)propionic acid methyl ester Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O3/c1-25(2)19(21(28)30-3)14-15-4-8-17(9-5-15)26-12-13-27(22(26)29)18-10-6-16(7-11-18)20(23)24/h4-13,19H,14H2,1-3H3,(H3,23,24)