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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N2O2/c1-3-5-7-9-11-13-27(31)32-25-17-15-23(16-18-25)28-29-21-24-20-22(12-10-8-6-4-2)14-19-26(24)30-28/h15-18,21-22H,3-14,19-20H2,1-2H3