[4-(6-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] hexanoate

Systemtic Name: [4-(6-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] hexanoate Openeye Name: [4-(6-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] hexanoate CAS Name: hexanoic acid [4-(6-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] ester IUPAC Name: [4-(6-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] hexanoate Traditional Name: hexanoic acid [4-(6-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] ester Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-3-4-5-6-20(24)25-18-10-8-16(9-11-18)21-22-14-17-13-15(2)7-12-19(17)23-21/h8-11,14-15H,3-7,12-13H2,1-2H3