O6-(1-imidazol-1-yl-3-phenoxy-propan-2-yl) O1-(phenylmethyl) hexanedioate

Systemtic Name: O6-(1-imidazol-1-yl-3-phenoxy-propan-2-yl) O1-(phenylmethyl) hexanedioate Openeye Name: O1-benzyl O6-[1-(imidazol-1-ylmethyl)-2-phenoxy-ethyl] hexanedioate CAS Name: hexanedioic acid O6-[1-(1-imidazolyl)-3-phenoxypropan-2-yl] ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 6-O-(1-imidazol-1-yl-3-phenoxypropan-2-yl) hexanedioate Traditional Name: adipic acid O1-benzyl ester O6-[1-(imidazol-1-ylmethyl)-2-phenoxy-ethyl] ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCCC(=O)OC(CN2C=CN=C2)COC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCCC(=O)OC(CN2C=CN=C2)COC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O5/c28-24(31-18-21-9-3-1-4-10-21)13-7-8-14-25(29)32-23(17-27-16-15-26-20-27)19-30-22-11-5-2-6-12-22/h1-6,9-12,15-16,20,23H,7-8,13-14,17-19H2