(4-cyano-4-heptyl-cyclohexyl) 4-(1-hexoxy-1-oxidanylidene-propan-2-yl)oxybenzoate

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(1-hexoxy-1-oxidanylidene-propan-2-yl)oxybenzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(2-hexoxy-1-methyl-2-oxo-ethoxy)benzoate CAS Name: 4-(1-hexoxy-1-oxopropan-2-yl)oxybenzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(1-hexoxy-1-oxopropan-2-yl)oxybenzoate Traditional Name: 4-(2-hexoxy-2-keto-1-methyl-ethoxy)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C30H45NO5 MolecularWeight: 499.682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)OC(C)C(=O)OCCCCCC)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)OC(C)C(=O)OCCCCCC)C#N

InChI

InChI=1S/C30H45NO5/c1-4-6-8-10-11-19-30(23-31)20-17-27(18-21-30)36-29(33)25-13-15-26(16-14-25)35-24(3)28(32)34-22-12-9-7-5-2/h13-16,24,27H,4-12,17-22H2,1-3H3