methyl 3-carbamimidoyl-4-[2-[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]-1H-imidazol-5-yl]benzoate

Systemtic Name: methyl 3-carbamimidoyl-4-[2-[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]-1H-imidazol-5-yl]benzoate Openeye Name: methyl 3-carbamimidoyl-4-[2-[4-(3-methoxy-3-oxo-propyl)phenyl]-1H-imidazol-5-yl]benzoate CAS Name: 3-carbamimidoyl-4-[2-[4-(3-methoxy-3-oxopropyl)phenyl]-1H-imidazol-5-yl]benzoic acid methyl ester IUPAC Name: methyl 3-carbamimidoyl-4-[2-[4-(3-methoxy-3-oxopropyl)phenyl]-1H-imidazol-5-yl]benzoate Traditional Name: 3-amidino-4-[2-[4-(3-keto-3-methoxy-propyl)phenyl]-1H-imidazol-5-yl]benzoic acid methyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C2=NC=C(N2)C3=C(C=C(C=C3)C(=O)OC)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C2=NC=C(N2)C3=C(C=C(C=C3)C(=O)OC)C(=N)N

InChI

InChI=1S/C22H22N4O4/c1-29-19(27)10-5-13-3-6-14(7-4-13)21-25-12-18(26-21)16-9-8-15(22(28)30-2)11-17(16)20(23)24/h3-4,6-9,11-12H,5,10H2,1-2H3,(H3,23,24)(H,25,26)