methyl 3-carbamimidoyl-4-[3-[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]-2-oxidanylidene-imidazol-1-yl]benzoate

Systemtic Name: methyl 3-carbamimidoyl-4-[3-[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]-2-oxidanylidene-imidazol-1-yl]benzoate Openeye Name: methyl 3-carbamimidoyl-4-[3-[4-(3-methoxy-3-oxo-propyl)phenyl]-2-oxo-imidazol-1-yl]benzoate CAS Name: 3-carbamimidoyl-4-[3-[4-(3-methoxy-3-oxopropyl)phenyl]-2-oxo-1-imidazolyl]benzoic acid methyl ester IUPAC Name: methyl 3-carbamimidoyl-4-[3-[4-(3-methoxy-3-oxopropyl)phenyl]-2-oxoimidazol-1-yl]benzoate Traditional Name: 3-amidino-4-[2-keto-3-[4-(3-keto-3-methoxy-propyl)phenyl]-4-imidazolin-1-yl]benzoic acid methyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N2C=CN(C2=O)C3=C(C=C(C=C3)C(=O)OC)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N2C=CN(C2=O)C3=C(C=C(C=C3)C(=O)OC)C(=N)N

InChI

InChI=1S/C22H22N4O5/c1-30-19(27)10-5-14-3-7-16(8-4-14)25-11-12-26(22(25)29)18-9-6-15(21(28)31-2)13-17(18)20(23)24/h3-4,6-9,11-13H,5,10H2,1-2H3,(H3,23,24)