[4-(6-octyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] propanoate

Systemtic Name: [4-(6-octyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] propanoate Openeye Name: [4-(6-octyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] propanoate CAS Name: propanoic acid [4-(6-octyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] ester IUPAC Name: [4-(6-octyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] propanoate Traditional Name: propionic acid [4-(6-octyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] ester Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)OC(=O)CC

Isomeric SMILES

CCCCCCCCC1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)OC(=O)CC

InChI

InChI=1S/C25H34N2O2/c1-3-5-6-7-8-9-10-19-11-16-23-21(17-19)18-26-25(27-23)20-12-14-22(15-13-20)29-24(28)4-2/h12-15,18-19H,3-11,16-17H2,1-2H3