[2-(4-decoxyphenyl)pyrimidin-5-yl] 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate Openeye Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate CAS Name: 4-(4-methylpent-3-enyl)-1-cyclohex-3-enecarboxylic acid [2-(4-decoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate Traditional Name: 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid [2-(4-decoxyphenyl)pyrimidin-5-yl] ester Formula: C33H46N2O3 MolecularWeight: 518.72994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CCC(=CC3)CCC=C(C)C

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CCC(=CC3)CCC=C(C)C

InChI

InChI=1S/C33H46N2O3/c1-4-5-6-7-8-9-10-11-23-37-30-21-19-28(20-22-30)32-34-24-31(25-35-32)38-33(36)29-17-15-27(16-18-29)14-12-13-26(2)3/h13,15,19-22,24-25,29H,4-12,14,16-18,23H2,1-3H3