[4-(6-octylquinoxalin-2-yl)phenyl] heptanoate

Systemtic Name: [4-(6-octylquinoxalin-2-yl)phenyl] heptanoate Openeye Name: [4-(6-octylquinoxalin-2-yl)phenyl] heptanoate CAS Name: heptanoic acid [4-(6-octyl-2-quinoxalinyl)phenyl] ester IUPAC Name: [4-(6-octylquinoxalin-2-yl)phenyl] heptanoate Traditional Name: enanthic acid [4-(6-octylquinoxalin-2-yl)phenyl] ester Formula: C29H38N2O2 MolecularWeight: 446.62422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=NC=C(N=C2C=C1)C3=CC=C(C=C3)OC(=O)CCCCCC

Isomeric SMILES

CCCCCCCCC1=CC2=NC=C(N=C2C=C1)C3=CC=C(C=C3)OC(=O)CCCCCC

InChI

InChI=1S/C29H38N2O2/c1-3-5-7-9-10-11-13-23-15-20-26-27(21-23)30-22-28(31-26)24-16-18-25(19-17-24)33-29(32)14-12-8-6-4-2/h15-22H,3-14H2,1-2H3