O4-tert-butyl O1-[(E)-pent-1-enyl] 2-(imidazol-1-ylmethyl)-3-phenyl-benzene-1,4-dicarboxylate

Systemtic Name: O4-tert-butyl O1-[(E)-pent-1-enyl] 2-(imidazol-1-ylmethyl)-3-phenyl-benzene-1,4-dicarboxylate Openeye Name: O4-tert-butyl O1-[(E)-pent-1-enyl] 2-(imidazol-1-ylmethyl)-3-phenyl-benzene-1,4-dicarboxylate CAS Name: 2-(1-imidazolylmethyl)-3-phenylbenzene-1,4-dicarboxylic acid O4-tert-butyl ester O1-[(E)-pent-1-enyl] ester IUPAC Name: 4-O-tert-butyl 1-O-[(E)-pent-1-enyl] 2-(imidazol-1-ylmethyl)-3-phenylbenzene-1,4-dicarboxylate Traditional Name: 2-(imidazol-1-ylmethyl)-3-phenyl-benzene-1,4-dicarboxylic acid O4-tert-butyl ester O1-[(E)-pent-1-enyl] ester Formula: C27H30N2O4 MolecularWeight: 446.5381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC=COC(=O)C1=C(C(=C(C=C1)C(=O)OC(C)(C)C)C2=CC=CC=C2)CN3C=CN=C3

Isomeric SMILES

CCC/C=C/OC(=O)C1=C(C(=C(C=C1)C(=O)OC(C)(C)C)C2=CC=CC=C2)CN3C=CN=C3

InChI

InChI=1S/C27H30N2O4/c1-5-6-10-17-32-25(30)21-13-14-22(26(31)33-27(2,3)4)24(20-11-8-7-9-12-20)23(21)18-29-16-15-28-19-29/h7-17,19H,5-6,18H2,1-4H3/b17-10+