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

Systemtic Name: [4-[6-(2-methylbutyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] octanoate Openeye Name: [4-[6-(2-methylbutyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] octanoate CAS Name: octanoic 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] octanoate Traditional Name: caprylic acid [4-[6-(2-methylbutyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] ester Formula: C27H38N2O2 MolecularWeight: 422.60282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O2/c1-4-6-7-8-9-10-26(30)31-24-14-12-22(13-15-24)27-28-19-23-18-21(17-20(3)5-2)11-16-25(23)29-27/h12-15,19-21H,4-11,16-18H2,1-3H3