tert-butyl 4-[(E)-5-(4-ethoxycarbonylphenyl)-4-(imidazol-1-ylmethyl)pent-4-enyl]benzoate

Systemtic Name: tert-butyl 4-[(E)-5-(4-ethoxycarbonylphenyl)-4-(imidazol-1-ylmethyl)pent-4-enyl]benzoate Openeye Name: tert-butyl 4-[(E)-5-(4-ethoxycarbonylphenyl)-4-(imidazol-1-ylmethyl)pent-4-enyl]benzoate CAS Name: 4-[(E)-5-(4-ethoxycarbonylphenyl)-4-(1-imidazolylmethyl)pent-4-enyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-5-(4-ethoxycarbonylphenyl)-4-(imidazol-1-ylmethyl)pent-4-enyl]benzoate Traditional Name: 4-[(E)-5-(4-carbethoxyphenyl)-4-(imidazol-1-ylmethyl)pent-4-enyl]benzoic acid tert-butyl ester Formula: C29H34N2O4 MolecularWeight: 474.59126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C=C(CCCC2=CC=C(C=C2)C(=O)OC(C)(C)C)CN3C=CN=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)/C=C(\CCCC2=CC=C(C=C2)C(=O)OC(C)(C)C)/CN3C=CN=C3

InChI

InChI=1S/C29H34N2O4/c1-5-34-27(32)25-15-11-23(12-16-25)19-24(20-31-18-17-30-21-31)8-6-7-22-9-13-26(14-10-22)28(33)35-29(2,3)4/h9-19,21H,5-8,20H2,1-4H3/b24-19+