[4-[4-(4-chlorophenyl)phenoxy]-4-imidazol-1-yl-2,2-dimethyl-3-oxidanylidene-butyl] octanoate

Systemtic Name: [4-[4-(4-chlorophenyl)phenoxy]-4-imidazol-1-yl-2,2-dimethyl-3-oxidanylidene-butyl] octanoate Openeye Name: [4-[4-(4-chlorophenyl)phenoxy]-4-imidazol-1-yl-2,2-dimethyl-3-oxo-butyl] octanoate CAS Name: octanoic acid [4-[4-(4-chlorophenyl)phenoxy]-4-(1-imidazolyl)-2,2-dimethyl-3-oxobutyl] ester IUPAC Name: [4-[4-(4-chlorophenyl)phenoxy]-4-imidazol-1-yl-2,2-dimethyl-3-oxobutyl] octanoate Traditional Name: caprylic acid [4-[4-(4-chlorophenyl)phenoxy]-4-imidazol-1-yl-3-keto-2,2-dimethyl-butyl] ester Formula: C29H35ClN2O4 MolecularWeight: 511.0522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(C)(C)C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCCC(=O)OCC(C)(C)C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C29H35ClN2O4/c1-4-5-6-7-8-9-26(33)35-20-29(2,3)27(34)28(32-19-18-31-21-32)36-25-16-12-23(13-17-25)22-10-14-24(30)15-11-22/h10-19,21,28H,4-9,20H2,1-3H3