(2S)-2-ethoxy-3-[4-[2-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)ethoxy]phenyl]propanoic acid

Systemtic Name: (2S)-2-ethoxy-3-[4-[2-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)ethoxy]phenyl]propanoic acid Openeye Name: (2S)-2-ethoxy-3-[4-[2-(2-ethyl-4-oxo-quinazolin-3-yl)ethoxy]phenyl]propanoic acid CAS Name: (2S)-2-ethoxy-3-[4-[2-(2-ethyl-4-oxo-3-quinazolinyl)ethoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-ethoxy-3-[4-[2-(2-ethyl-4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoic acid Traditional Name: (2S)-2-ethoxy-3-[4-[2-(2-ethyl-4-keto-quinazolin-3-yl)ethoxy]phenyl]propionic acid Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=O)N1CCOC3=CC=C(C=C3)CC(C(=O)O)OCC

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=O)N1CCOC3=CC=C(C=C3)C[C@@H](C(=O)O)OCC

InChI

InChI=1S/C23H26N2O5/c1-3-21-24-19-8-6-5-7-18(19)22(26)25(21)13-14-30-17-11-9-16(10-12-17)15-20(23(27)28)29-4-2/h5-12,20H,3-4,13-15H2,1-2H3,(H,27,28)/t20-/m0/s1