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

Systemtic Name: 4-[(E)-2-(imidazol-1-ylmethyl)-6,6-dimethyl-hept-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-(imidazol-1-ylmethyl)-6,6-dimethyl-hept-1-enyl]benzoic acid CAS Name: 4-[(E)-2-(1-imidazolylmethyl)-6,6-dimethylhept-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-(imidazol-1-ylmethyl)-6,6-dimethylhept-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-(imidazol-1-ylmethyl)-6,6-dimethyl-hept-1-enyl]benzoic acid Formula: C20H26N2O2 MolecularWeight: 326.43264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCC(=CC1=CC=C(C=C1)C(=O)O)CN2C=CN=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O2/c1-20(2,3)10-4-5-17(14-22-12-11-21-15-22)13-16-6-8-18(9-7-16)19(23)24/h6-9,11-13,15H,4-5,10,14H2,1-3H3,(H,23,24)/b17-13+