(4-cyanophenyl) 4-[4-(3-methylidenepentyl)cyclohexyl]benzoate

Systemtic Name: (4-cyanophenyl) 4-[4-(3-methylidenepentyl)cyclohexyl]benzoate Openeye Name: (4-cyanophenyl) 4-[4-(3-methylenepentyl)cyclohexyl]benzoate CAS Name: 4-[4-(3-methylenepentyl)cyclohexyl]benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-[4-(3-methylidenepentyl)cyclohexyl]benzoate Traditional Name: 4-[4-(3-ethylbut-3-enyl)cyclohexyl]benzoic acid (4-cyanophenyl) ester Formula: C26H29NO2 MolecularWeight: 387.51396

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C)CCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC(=C)CCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H29NO2/c1-3-19(2)4-5-20-6-10-22(11-7-20)23-12-14-24(15-13-23)26(28)29-25-16-8-21(18-27)9-17-25/h8-9,12-17,20,22H,2-7,10-11H2,1H3