[(Z)-2-(imidazol-1-ylmethyl)-6,6-dimethyl-hept-1-enyl] 2-ethylbenzoate

Systemtic Name: [(Z)-2-(imidazol-1-ylmethyl)-6,6-dimethyl-hept-1-enyl] 2-ethylbenzoate Openeye Name: [(Z)-2-(imidazol-1-ylmethyl)-6,6-dimethyl-hept-1-enyl] 2-ethylbenzoate CAS Name: 2-ethylbenzoic acid [(Z)-2-(1-imidazolylmethyl)-6,6-dimethylhept-1-enyl] ester IUPAC Name: [(Z)-2-(imidazol-1-ylmethyl)-6,6-dimethylhept-1-enyl] 2-ethylbenzoate Traditional Name: 2-ethylbenzoic acid [(Z)-2-(imidazol-1-ylmethyl)-6,6-dimethyl-hept-1-enyl] ester Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=O)OC=C(CCCC(C)(C)C)CN2C=CN=C2

Isomeric SMILES

CCC1=CC=CC=C1C(=O)O/C=C(/CCCC(C)(C)C)\CN2C=CN=C2

InChI

InChI=1S/C22H30N2O2/c1-5-19-10-6-7-11-20(19)21(25)26-16-18(9-8-12-22(2,3)4)15-24-14-13-23-17-24/h6-7,10-11,13-14,16-17H,5,8-9,12,15H2,1-4H3/b18-16-