[4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] pentanoate

Systemtic Name: [4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] pentanoate Openeye Name: [4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] pentanoate CAS Name: pentanoic acid [4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] ester IUPAC Name: [4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] pentanoate Traditional Name: valeric acid [4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] ester Formula: C27H38N2O2 MolecularWeight: 422.60282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)OC(=O)CCCC

Isomeric SMILES

CCCCC(CC)CC1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)OC(=O)CCCC

InChI

InChI=1S/C27H38N2O2/c1-4-7-9-20(6-3)17-21-11-16-25-23(18-21)19-28-27(29-25)22-12-14-24(15-13-22)31-26(30)10-8-5-2/h12-15,19-21H,4-11,16-18H2,1-3H3