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

Systemtic Name: [4-(6-nonyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] pentanoate Openeye Name: [4-(6-nonyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] pentanoate CAS Name: pentanoic acid [4-(6-nonyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] ester IUPAC Name: [4-(6-nonyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] pentanoate Traditional Name: valeric acid [4-(6-nonyl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl] ester Formula: C28H40N2O2 MolecularWeight: 436.6294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCCC1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)OC(=O)CCCC

InChI

InChI=1S/C28H40N2O2/c1-3-5-7-8-9-10-11-12-22-14-19-26-24(20-22)21-29-28(30-26)23-15-17-25(18-16-23)32-27(31)13-6-4-2/h15-18,21-22H,3-14,19-20H2,1-2H3