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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O2/c1-3-5-7-8-9-10-11-21-13-18-25-23(19-21)20-28-27(29-25)22-14-16-24(17-15-22)31-26(30)12-6-4-2/h14-17,20-21H,3-13,18-19H2,1-2H3