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

Systemtic Name: [4-[6-(2-methylbutyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] hexanoate Openeye Name: [4-[6-(2-methylbutyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] hexanoate CAS Name: hexanoic acid [4-[6-(2-methylbutyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] ester IUPAC Name: [4-[6-(2-methylbutyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] hexanoate Traditional Name: hexanoic acid [4-[6-(2-methylbutyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] ester Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O2/c1-4-6-7-8-24(28)29-22-12-10-20(11-13-22)25-26-17-21-16-19(15-18(3)5-2)9-14-23(21)27-25/h10-13,17-19H,4-9,14-16H2,1-3H3