(4-quinoxalin-2-ylphenyl) 4-butoxybenzoate

Systemtic Name: (4-quinoxalin-2-ylphenyl) 4-butoxybenzoate Openeye Name: (4-quinoxalin-2-ylphenyl) 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [4-(2-quinoxalinyl)phenyl] ester IUPAC Name: (4-quinoxalin-2-ylphenyl) 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (4-quinoxalin-2-ylphenyl) ester Formula: C25H22N2O3 MolecularWeight: 398.45378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C25H22N2O3/c1-2-3-16-29-20-12-10-19(11-13-20)25(28)30-21-14-8-18(9-15-21)24-17-26-22-6-4-5-7-23(22)27-24/h4-15,17H,2-3,16H2,1H3