methyl 4-[(2-butyl-4-methanoyl-imidazol-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(2-butyl-4-methanoyl-imidazol-1-yl)methyl]benzoate Openeye Name: methyl 4-[(2-butyl-4-formyl-imidazol-1-yl)methyl]benzoate CAS Name: 4-[(2-butyl-4-formyl-1-imidazolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-butyl-4-formylimidazol-1-yl)methyl]benzoate Traditional Name: 4-[(2-butyl-4-formyl-imidazol-1-yl)methyl]benzoic acid methyl ester Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CN1CC2=CC=C(C=C2)C(=O)OC)C=O

Isomeric SMILES

CCCCC1=NC(=CN1CC2=CC=C(C=C2)C(=O)OC)C=O

InChI

InChI=1S/C17H20N2O3/c1-3-4-5-16-18-15(12-20)11-19(16)10-13-6-8-14(9-7-13)17(21)22-2/h6-9,11-12H,3-5,10H2,1-2H3