[4-(3-phenylquinoxalin-2-yl)phenyl] 4-butoxybenzoate

Systemtic Name: [4-(3-phenylquinoxalin-2-yl)phenyl] 4-butoxybenzoate Openeye Name: [4-(3-phenylquinoxalin-2-yl)phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [4-(3-phenyl-2-quinoxalinyl)phenyl] ester IUPAC Name: [4-(3-phenylquinoxalin-2-yl)phenyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [4-(3-phenylquinoxalin-2-yl)phenyl] ester Formula: C31H26N2O3 MolecularWeight: 474.54974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

InChI

InChI=1S/C31H26N2O3/c1-2-3-21-35-25-17-15-24(16-18-25)31(34)36-26-19-13-23(14-20-26)30-29(22-9-5-4-6-10-22)32-27-11-7-8-12-28(27)33-30/h4-20H,2-3,21H2,1H3