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methyl 2-butyl-4-[(5-methanoylimidazol-1-yl)methyl]benzoate

methyl 2-butyl-4-[(5-methanoylimidazol-1-yl)methyl]benzoate

Systemtic Name:methyl 2-butyl-4-[(5-methanoylimidazol-1-yl)methyl]benzoate
Openeye Name:methyl 2-butyl-4-[(5-formylimidazol-1-yl)methyl]benzoate
CAS Name:2-butyl-4-[(5-formyl-1-imidazolyl)methyl]benzoic acid methyl ester
IUPAC Name:methyl 2-butyl-4-[(5-formylimidazol-1-yl)methyl]benzoate
Traditional Name:2-butyl-4-[(5-formylimidazol-1-yl)methyl]benzoic acid methyl ester
Formula: C17H20N2O3
MolecularWeight: 300.3523
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)CN2C=NC=C2C=O)C(=O)OC


Isomeric SMILES

CCCCC1=C(C=CC(=C1)CN2C=NC=C2C=O)C(=O)OC


InChI

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


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