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

Systemtic Name: [4-(6-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] octanoate Openeye Name: [4-(6-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] octanoate CAS Name: octanoic acid [4-(6-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] ester IUPAC Name: [4-(6-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] octanoate Traditional Name: caprylic acid [4-(6-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] ester Formula: C26H36N2O2 MolecularWeight: 408.57624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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