[3-cyano-3-(3,4-dimethylphenyl)-3-(oxan-2-yloxy)propyl] benzoate

Systemtic Name: [3-cyano-3-(3,4-dimethylphenyl)-3-(oxan-2-yloxy)propyl] benzoate Openeye Name: [3-cyano-3-(3,4-dimethylphenyl)-3-tetrahydropyran-2-yloxy-propyl] benzoate CAS Name: benzoic acid [3-cyano-3-(3,4-dimethylphenyl)-3-(2-oxanyloxy)propyl] ester IUPAC Name: [3-cyano-3-(3,4-dimethylphenyl)-3-(oxan-2-yloxy)propyl] benzoate Traditional Name: benzoic acid [3-cyano-3-(3,4-dimethylphenyl)-3-tetrahydropyran-2-yloxy-propyl] ester Formula: C24H27NO4 MolecularWeight: 393.47548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CCOC(=O)C2=CC=CC=C2)(C#N)OC3CCCCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(CCOC(=O)C2=CC=CC=C2)(C#N)OC3CCCCO3)C

InChI

InChI=1S/C24H27NO4/c1-18-11-12-21(16-19(18)2)24(17-25,29-22-10-6-7-14-27-22)13-15-28-23(26)20-8-4-3-5-9-20/h3-5,8-9,11-12,16,22H,6-7,10,13-15H2,1-2H3