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

Systemtic Name: [4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] octanoate Openeye Name: [4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] octanoate CAS Name: octanoic 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] octanoate Traditional Name: caprylic acid [4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] ester Formula: C30H44N2O2 MolecularWeight: 464.68256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44N2O2/c1-4-7-9-10-11-13-29(33)34-27-17-15-25(16-18-27)30-31-22-26-21-24(14-19-28(26)32-30)20-23(6-3)12-8-5-2/h15-18,22-24H,4-14,19-21H2,1-3H3