4-[(2S)-4-butyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(2S)-4-butyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(2S)-4-butyl-2-isopropyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[(2S)-4-butyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[(2S)-4-butyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-[(2S)-4-butyl-2-isopropyl-3-keto-1,4-benzoxazin-6-yl]-4-keto-butyrate Formula: C19H24NO5- MolecularWeight: 346.39756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)C(=O)CCC(=O)[O-])OC(C1=O)C(C)C

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)C(=O)CCC(=O)[O-])O[C@H](C1=O)C(C)C

InChI

InChI=1S/C19H25NO5/c1-4-5-10-20-14-11-13(15(21)7-9-17(22)23)6-8-16(14)25-18(12(2)3)19(20)24/h6,8,11-12,18H,4-5,7,9-10H2,1-3H3,(H,22,23)/p-1/t18-/m0/s1