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

Systemtic Name: prop-2-enyl 3-carbamimidoyl-4-[2-[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]-1-methyl-imidazol-4-yl]benzoate Openeye Name: allyl 3-carbamimidoyl-4-[2-[4-(3-methoxy-3-oxo-propyl)phenyl]-1-methyl-imidazol-4-yl]benzoate CAS Name: 3-carbamimidoyl-4-[2-[4-(3-methoxy-3-oxopropyl)phenyl]-1-methyl-4-imidazolyl]benzoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-carbamimidoyl-4-[2-[4-(3-methoxy-3-oxopropyl)phenyl]-1-methylimidazol-4-yl]benzoate Traditional Name: 3-amidino-4-[2-[4-(3-keto-3-methoxy-propyl)phenyl]-1-methyl-imidazol-4-yl]benzoic acid allyl ester Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C2=CC=C(C=C2)CCC(=O)OC)C3=C(C=C(C=C3)C(=O)OCC=C)C(=N)N

Isomeric SMILES

CN1C=C(N=C1C2=CC=C(C=C2)CCC(=O)OC)C3=C(C=C(C=C3)C(=O)OCC=C)C(=N)N

InChI

InChI=1S/C25H26N4O4/c1-4-13-33-25(31)18-10-11-19(20(14-18)23(26)27)21-15-29(2)24(28-21)17-8-5-16(6-9-17)7-12-22(30)32-3/h4-6,8-11,14-15H,1,7,12-13H2,2-3H3,(H3,26,27)