[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 4-butoxy-3-ethoxy-benzoate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 4-butoxy-3-ethoxy-benzoate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)O[C@H](C)C2=NC(=O)C3=CC=CC=C3N2)OCC

InChI

InChI=1S/C23H26N2O5/c1-4-6-13-29-19-12-11-16(14-20(19)28-5-2)23(27)30-15(3)21-24-18-10-8-7-9-17(18)22(26)25-21/h7-12,14-15H,4-6,13H2,1-3H3,(H,24,25,26)/t15-/m1/s1