[cyano-(3-phenoxyphenyl)methyl] 4-(cyclohexylmethoxy)-3-methyl-butanoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 4-(cyclohexylmethoxy)-3-methyl-butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 4-(cyclohexylmethoxy)-3-methyl-butanoate CAS Name: 4-(cyclohexylmethoxy)-3-methylbutanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 4-(cyclohexylmethoxy)-3-methylbutanoate Traditional Name: 4-(cyclohexylmethoxy)-3-methyl-butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)COCC3CCCCC3

Isomeric SMILES

CC(CC(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)COCC3CCCCC3

InChI

InChI=1S/C26H31NO4/c1-20(18-29-19-21-9-4-2-5-10-21)15-26(28)31-25(17-27)22-11-8-14-24(16-22)30-23-12-6-3-7-13-23/h3,6-8,11-14,16,20-21,25H,2,4-5,9-10,15,18-19H2,1H3