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

Systemtic Name: [4-(6-pentyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] octanoate Openeye Name: [4-(6-pentyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] octanoate CAS Name: octanoic acid [4-(6-pentyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] ester IUPAC Name: [4-(6-pentyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] octanoate Traditional Name: caprylic acid [4-(6-amyl-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)CCCCC

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O2/c1-3-5-7-8-10-12-26(30)31-24-16-14-22(15-17-24)27-28-20-23-19-21(11-9-6-4-2)13-18-25(23)29-27/h14-17,20-21H,3-13,18-19H2,1-2H3