[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl] 4-(5-octylpyrimidin-2-yl)benzoate

Systemtic Name: [4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl] 4-(5-octylpyrimidin-2-yl)benzoate Openeye Name: [4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl] 4-(5-octylpyrimidin-2-yl)benzoate CAS Name: 4-(5-octyl-2-pyrimidinyl)benzoic acid [4-(4-methylpent-3-enyl)-1-cyclohex-3-enyl] ester IUPAC Name: [4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl] 4-(5-octylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-octylpyrimidin-2-yl)benzoic acid [4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl] ester Formula: C31H42N2O2 MolecularWeight: 474.67738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3CCC(=CC3)CCC=C(C)C

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3CCC(=CC3)CCC=C(C)C

InChI

InChI=1S/C31H42N2O2/c1-4-5-6-7-8-9-12-26-22-32-30(33-23-26)27-16-18-28(19-17-27)31(34)35-29-20-14-25(15-21-29)13-10-11-24(2)3/h11,14,16-19,22-23,29H,4-10,12-13,15,20-21H2,1-3H3