3-azanyl-4-oxidanylidene-4-[[2-oxidanylidene-2-[(2,2,4-trimethyl-7-oxabicyclo[2.2.1]heptan-3-yl)oxy]ethyl]-phenyl-amino]butanoic acid

Systemtic Name: 3-azanyl-4-oxidanylidene-4-[[2-oxidanylidene-2-[(2,2,4-trimethyl-7-oxabicyclo[2.2.1]heptan-3-yl)oxy]ethyl]-phenyl-amino]butanoic acid Openeye Name: 3-amino-4-oxo-4-(N-[2-oxo-2-[(2,2,4-trimethyl-7-oxabicyclo[2.2.1]heptan-3-yl)oxy]ethyl]anilino)butanoic acid CAS Name: 3-amino-4-oxo-4-(N-[2-oxo-2-[(2,2,4-trimethyl-7-oxabicyclo[2.2.1]heptan-3-yl)oxy]ethyl]anilino)butanoic acid IUPAC Name: 3-amino-4-oxo-4-(N-[2-oxo-2-[(2,2,4-trimethyl-7-oxabicyclo[2.2.1]heptan-3-yl)oxy]ethyl]anilino)butanoic acid Traditional Name: 3-amino-4-keto-4-(N-[2-keto-2-[(2,2,4-trimethyl-7-oxabicyclo[2.2.1]heptan-3-yl)oxy]ethyl]anilino)butyric acid Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC(C1OC(=O)CN(C3=CC=CC=C3)C(=O)C(CC(=O)O)N)(O2)C)C

Isomeric SMILES

CC1(C2CCC(C1OC(=O)CN(C3=CC=CC=C3)C(=O)C(CC(=O)O)N)(O2)C)C

InChI

InChI=1S/C21H28N2O6/c1-20(2)15-9-10-21(3,29-15)19(20)28-17(26)12-23(13-7-5-4-6-8-13)18(27)14(22)11-16(24)25/h4-8,14-15,19H,9-12,22H2,1-3H3,(H,24,25)