ethyl 4-[3-(imidazol-1-ylmethyl)phenyl]butanoate

Systemtic Name: ethyl 4-[3-(imidazol-1-ylmethyl)phenyl]butanoate Openeye Name: ethyl 4-[3-(imidazol-1-ylmethyl)phenyl]butanoate CAS Name: 4-[3-(1-imidazolylmethyl)phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(imidazol-1-ylmethyl)phenyl]butanoate Traditional Name: 4-[3-(imidazol-1-ylmethyl)phenyl]butyric acid ethyl ester Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1=CC(=CC=C1)CN2C=CN=C2

Isomeric SMILES

CCOC(=O)CCCC1=CC(=CC=C1)CN2C=CN=C2

InChI

InChI=1S/C16H20N2O2/c1-2-20-16(19)8-4-6-14-5-3-7-15(11-14)12-18-10-9-17-13-18/h3,5,7,9-11,13H,2,4,6,8,12H2,1H3