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

Systemtic Name: [4-[(2S)-4-oxidanylidene-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl] butanoate Openeye Name: [4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl] butanoate CAS Name: butanoic acid [4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl] ester IUPAC Name: [4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl] butanoate Traditional Name: butyric acid [4-[(2S)-4-keto-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl] ester Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO4/c1-2-5-16(20)22-13-10-8-12(9-11-13)18-19-17(21)14-6-3-4-7-15(14)23-18/h3-4,6-11,18H,2,5H2,1H3,(H,19,21)/t18-/m0/s1