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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCC1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)OC(=O)CCCCCCC

InChI

InChI=1S/C30H44N2O2/c1-3-5-7-9-11-12-14-24-16-21-28-26(22-24)23-31-30(32-28)25-17-19-27(20-18-25)34-29(33)15-13-10-8-6-4-2/h17-20,23-24H,3-16,21-22H2,1-2H3