ethyl 4-[(E)-2-(imidazol-1-ylmethyl)-5-(4-methoxyphenyl)pent-1-enyl]benzoate

Systemtic Name: ethyl 4-[(E)-2-(imidazol-1-ylmethyl)-5-(4-methoxyphenyl)pent-1-enyl]benzoate Openeye Name: ethyl 4-[(E)-2-(imidazol-1-ylmethyl)-5-(4-methoxyphenyl)pent-1-enyl]benzoate CAS Name: 4-[(E)-2-(1-imidazolylmethyl)-5-(4-methoxyphenyl)pent-1-enyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-(imidazol-1-ylmethyl)-5-(4-methoxyphenyl)pent-1-enyl]benzoate Traditional Name: 4-[(E)-2-(imidazol-1-ylmethyl)-5-(4-methoxyphenyl)pent-1-enyl]benzoic acid ethyl ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3/c1-3-30-25(28)23-11-7-21(8-12-23)17-22(18-27-16-15-26-19-27)6-4-5-20-9-13-24(29-2)14-10-20/h7-17,19H,3-6,18H2,1-2H3/b22-17+