4-oxidanylidene-4-[(2R)-3-oxidanylidene-2-propan-2-yl-4-prop-2-enyl-1,4-benzoxazin-6-yl]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(2R)-3-oxidanylidene-2-propan-2-yl-4-prop-2-enyl-1,4-benzoxazin-6-yl]butanoic acid Openeye Name: 4-[(2R)-4-allyl-2-isopropyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[(2R)-3-oxo-2-propan-2-yl-4-prop-2-enyl-1,4-benzoxazin-6-yl]butanoic acid IUPAC Name: 4-oxo-4-[(2R)-3-oxo-2-propan-2-yl-4-prop-2-enyl-1,4-benzoxazin-6-yl]butanoic acid Traditional Name: 4-[(2R)-4-allyl-2-isopropyl-3-keto-1,4-benzoxazin-6-yl]-4-keto-butyric acid Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)O)CC=C

Isomeric SMILES

CC(C)[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)O)CC=C

InChI

InChI=1S/C18H21NO5/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/h4-5,7,10-11,17H,1,6,8-9H2,2-3H3,(H,21,22)/t17-/m1/s1