6-(4-ethylphenyl)-1-(1-pentyl-4-bicyclo[2.2.2]octanyl)cyclohexa-2,4-dien-1-amine

Systemtic Name: 6-(4-ethylphenyl)-1-(1-pentyl-4-bicyclo[2.2.2]octanyl)cyclohexa-2,4-dien-1-amine Openeye Name: 6-(4-ethylphenyl)-1-(1-pentyl-4-bicyclo[2.2.2]octanyl)cyclohexa-2,4-dien-1-amine CAS Name: 6-(4-ethylphenyl)-1-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1-cyclohexa-2,4-dienamine IUPAC Name: 6-(4-ethylphenyl)-1-(1-pentyl-4-bicyclo[2.2.2]octanyl)cyclohexa-2,4-dien-1-amine Traditional Name: [1-(1-amyl-4-bicyclo[2.2.2]octanyl)-6-(4-ethylphenyl)cyclohexa-2,4-dien-1-yl]amine Formula: C27H39N MolecularWeight: 377.60526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3(C=CC=CC3C4=CC=C(C=C4)CC)N

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3(C=CC=CC3C4=CC=C(C=C4)CC)N

InChI

InChI=1S/C27H39N/c1-3-5-7-14-25-16-19-26(20-17-25,21-18-25)27(28)15-8-6-9-24(27)23-12-10-22(4-2)11-13-23/h6,8-13,15,24H,3-5,7,14,16-21,28H2,1-2H3