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

Systemtic Name: [4-(6-octyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] butanoate Openeye Name: [4-(6-octyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] butanoate CAS Name: butanoic 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] butanoate Traditional Name: butyric acid [4-(6-octyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] ester Formula: C26H36N2O2 MolecularWeight: 408.57624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O2/c1-3-5-6-7-8-9-11-20-12-17-24-22(18-20)19-27-26(28-24)21-13-15-23(16-14-21)30-25(29)10-4-2/h13-16,19-20H,3-12,17-18H2,1-2H3