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

Systemtic Name: [4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] butanoate Openeye Name: [4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] butanoate CAS Name: butanoic 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] butanoate Traditional Name: butyric acid [4-[6-(2-ethylhexyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl] ester Formula: C26H36N2O2 MolecularWeight: 408.57624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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