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

Systemtic Name: [4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] heptanoate Openeye Name: [4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] heptanoate CAS Name: heptanoic 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] heptanoate Traditional Name: enanthic acid [4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] ester Formula: C29H42N2O2 MolecularWeight: 450.65598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N2O2/c1-4-7-9-10-12-28(32)33-26-16-14-24(15-17-26)29-30-21-25-20-23(13-18-27(25)31-29)19-22(6-3)11-8-5-2/h14-17,21-23H,4-13,18-20H2,1-3H3