3-[3-[2-(4-chloranyl-2,6-dimethyl-phenyl)ethanoylamino]oxan-3-yl]propanoic acid

Systemtic Name: 3-[3-[2-(4-chloranyl-2,6-dimethyl-phenyl)ethanoylamino]oxan-3-yl]propanoic acid Openeye Name: 3-[3-[[2-(4-chloro-2,6-dimethyl-phenyl)acetyl]amino]tetrahydropyran-3-yl]propanoic acid CAS Name: 3-[3-[[2-(4-chloro-2,6-dimethylphenyl)-1-oxoethyl]amino]-3-oxanyl]propanoic acid IUPAC Name: 3-[3-[[2-(4-chloro-2,6-dimethylphenyl)acetyl]amino]oxan-3-yl]propanoic acid Traditional Name: 3-[3-[[2-(4-chloro-2,6-dimethyl-phenyl)acetyl]amino]tetrahydropyran-3-yl]propionic acid Formula: C18H24ClNO4 MolecularWeight: 353.84046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(=O)NC2(CCCOC2)CCC(=O)O)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1CC(=O)NC2(CCCOC2)CCC(=O)O)C)Cl

InChI

InChI=1S/C18H24ClNO4/c1-12-8-14(19)9-13(2)15(12)10-16(21)20-18(6-4-17(22)23)5-3-7-24-11-18/h8-9H,3-7,10-11H2,1-2H3,(H,20,21)(H,22,23)