[1-(5-pentylpyrimidin-2-yl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 2-methyloctanoate

Systemtic Name: [1-(5-pentylpyrimidin-2-yl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 2-methyloctanoate Openeye Name: [1-(5-pentylpyrimidin-2-yl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 2-methyloctanoate CAS Name: 2-methyloctanoic acid [1-(5-pentyl-2-pyrimidinyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(5-pentylpyrimidin-2-yl)-4-phenylcyclohexa-2,5-dien-1-yl] 2-methyloctanoate Traditional Name: 2-methylcaprylic acid [1-(5-amylpyrimidin-2-yl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C30H40N2O2 MolecularWeight: 460.6508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(=O)OC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)CCCCC

Isomeric SMILES

CCCCCCC(C)C(=O)OC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)CCCCC

InChI

InChI=1S/C30H40N2O2/c1-4-6-8-11-14-24(3)28(33)34-30(29-31-22-25(23-32-29)15-10-7-5-2)20-18-27(19-21-30)26-16-12-9-13-17-26/h9,12-13,16-24,27H,4-8,10-11,14-15H2,1-3H3