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

Systemtic Name: [4-[6-(2-methylbutyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] heptanoate Openeye Name: [4-[6-(2-methylbutyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] heptanoate CAS Name: heptanoic acid [4-[6-(2-methylbutyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] ester IUPAC Name: [4-[6-(2-methylbutyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] heptanoate Traditional Name: enanthic acid [4-[6-(2-methylbutyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] ester Formula: C26H36N2O2 MolecularWeight: 408.57624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O2/c1-4-6-7-8-9-25(29)30-23-13-11-21(12-14-23)26-27-18-22-17-20(16-19(3)5-2)10-15-24(22)28-26/h11-14,18-20H,4-10,15-17H2,1-3H3