4-oxidanylidene-4-[(2S)-3-oxidanylidene-2-propan-2-yl-4-propyl-1,4-benzoxazin-6-yl]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(2S)-3-oxidanylidene-2-propan-2-yl-4-propyl-1,4-benzoxazin-6-yl]butanoic acid Openeye Name: 4-[(2S)-2-isopropyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[(2S)-3-oxo-2-propan-2-yl-4-propyl-1,4-benzoxazin-6-yl]butanoic acid IUPAC Name: 4-oxo-4-[(2S)-3-oxo-2-propan-2-yl-4-propyl-1,4-benzoxazin-6-yl]butanoic acid Traditional Name: 4-[(2S)-2-isopropyl-3-keto-4-propyl-1,4-benzoxazin-6-yl]-4-keto-butyric acid Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)C(=O)CCC(=O)O)OC(C1=O)C(C)C

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)C(=O)CCC(=O)O)O[C@H](C1=O)C(C)C

InChI

InChI=1S/C18H23NO5/c1-4-9-19-13-10-12(14(20)6-8-16(21)22)5-7-15(13)24-17(11(2)3)18(19)23/h5,7,10-11,17H,4,6,8-9H2,1-3H3,(H,21,22)/t17-/m0/s1