[4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] hexanoate

Systemtic Name: [4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] hexanoate Openeye Name: [4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] hexanoate CAS Name: hexanoic acid [4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] ester IUPAC Name: [4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] hexanoate Traditional Name: hexanoic acid [4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] ester Formula: C28H40N2O2 MolecularWeight: 436.6294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=CC=C(C=C1)C2=NC=C3CC(CCC3=N2)CC(CC)CCCC

Isomeric SMILES

CCCCCC(=O)OC1=CC=C(C=C1)C2=NC=C3CC(CCC3=N2)CC(CC)CCCC

InChI

InChI=1S/C28H40N2O2/c1-4-7-9-11-27(31)32-25-15-13-23(14-16-25)28-29-20-24-19-22(12-17-26(24)30-28)18-21(6-3)10-8-5-2/h13-16,20-22H,4-12,17-19H2,1-3H3