ethyl 4-[(E)-2-(imidazol-1-ylmethyl)-6,6-dimethyl-hept-1-enyl]benzoate

Systemtic Name: ethyl 4-[(E)-2-(imidazol-1-ylmethyl)-6,6-dimethyl-hept-1-enyl]benzoate Openeye Name: ethyl 4-[(E)-2-(imidazol-1-ylmethyl)-6,6-dimethyl-hept-1-enyl]benzoate CAS Name: 4-[(E)-2-(1-imidazolylmethyl)-6,6-dimethylhept-1-enyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-(imidazol-1-ylmethyl)-6,6-dimethylhept-1-enyl]benzoate Traditional Name: 4-[(E)-2-(imidazol-1-ylmethyl)-6,6-dimethyl-hept-1-enyl]benzoic acid ethyl ester Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C=C(CCCC(C)(C)C)CN2C=CN=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)/C=C(\CCCC(C)(C)C)/CN2C=CN=C2

InChI

InChI=1S/C22H30N2O2/c1-5-26-21(25)20-10-8-18(9-11-20)15-19(7-6-12-22(2,3)4)16-24-14-13-23-17-24/h8-11,13-15,17H,5-7,12,16H2,1-4H3/b19-15+