methyl 4-[(2-butyl-5-methanoyl-4-tritio-imidazol-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(2-butyl-5-methanoyl-4-tritio-imidazol-1-yl)methyl]benzoate Openeye Name: methyl 4-[(2-butyl-5-formyl-4-tritio-imidazol-1-yl)methyl]benzoate CAS Name: 4-[(2-butyl-5-formyl-4-tritio-1-imidazolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-butyl-5-formyl-4-tritioimidazol-1-yl)methyl]benzoate Traditional Name: 4-[(2-butyl-5-formyl-4-tritio-imidazol-1-yl)methyl]benzoic acid methyl ester Formula: C17H20N2O3 MolecularWeight: 302.360409

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)OC)C=O

Isomeric SMILES

[3H]C1=C(N(C(=N1)CCCC)CC2=CC=C(C=C2)C(=O)OC)C=O

InChI

InChI=1S/C17H20N2O3/c1-3-4-5-16-18-10-15(12-20)19(16)11-13-6-8-14(9-7-13)17(21)22-2/h6-10,12H,3-5,11H2,1-2H3/i10T