[2-ethoxy-4-[(2S)-4-oxidanylidene-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl] butanoate

Systemtic Name: [2-ethoxy-4-[(2S)-4-oxidanylidene-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl] butanoate Openeye Name: [2-ethoxy-4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl] butanoate CAS Name: butanoic acid [2-ethoxy-4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl] butanoate Traditional Name: butyric acid [2-ethoxy-4-[(2S)-4-keto-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl] ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=C(C=C1)C2NC(=O)C3=CC=CC=C3O2)OCC

Isomeric SMILES

CCCC(=O)OC1=C(C=C(C=C1)[C@H]2NC(=O)C3=CC=CC=C3O2)OCC

InChI

InChI=1S/C20H21NO5/c1-3-7-18(22)25-16-11-10-13(12-17(16)24-4-2)20-21-19(23)14-8-5-6-9-15(14)26-20/h5-6,8-12,20H,3-4,7H2,1-2H3,(H,21,23)/t20-/m0/s1