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

Systemtic Name: [4-(6-propyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] octanoate Openeye Name: [4-(6-propyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] octanoate CAS Name: octanoic acid [4-(6-propyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] ester IUPAC Name: [4-(6-propyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] octanoate Traditional Name: caprylic acid [4-(6-propyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] ester Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O2/c1-3-5-6-7-8-10-24(28)29-22-14-12-20(13-15-22)25-26-18-21-17-19(9-4-2)11-16-23(21)27-25/h12-15,18-19H,3-11,16-17H2,1-2H3