4-(1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-butyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-(1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-butyl-cyclohexane-1-carbonitrile Openeye Name: 4-(1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-butyl-cyclohexanecarbonitrile CAS Name: 4-(1-butoxy-4-phenyl-1-cyclohexa-2,5-dienyl)-1-butyl-1-cyclohexanecarbonitrile IUPAC Name: 4-(1-butoxy-4-phenylcyclohexa-2,5-dien-1-yl)-1-butylcyclohexane-1-carbonitrile Traditional Name: 4-(1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-butyl-cyclohexanecarbonitrile Formula: C27H37NO MolecularWeight: 391.58878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCC(CC1)C2(C=CC(C=C2)C3=CC=CC=C3)OCCCC)C#N

Isomeric SMILES

CCCCC1(CCC(CC1)C2(C=CC(C=C2)C3=CC=CC=C3)OCCCC)C#N

InChI

InChI=1S/C27H37NO/c1-3-5-16-26(22-28)17-14-25(15-18-26)27(29-21-6-4-2)19-12-24(13-20-27)23-10-8-7-9-11-23/h7-13,19-20,24-25H,3-6,14-18,21H2,1-2H3