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

Systemtic Name: 3-[4-azanyl-3-[2-(4-chloranyl-2,6-dimethyl-phenyl)ethanoyl]-2-methyl-oxan-4-yl]propanoic acid Openeye Name: 3-[4-amino-3-[2-(4-chloro-2,6-dimethyl-phenyl)acetyl]-2-methyl-tetrahydropyran-4-yl]propanoic acid CAS Name: 3-[4-amino-3-[2-(4-chloro-2,6-dimethylphenyl)-1-oxoethyl]-2-methyl-4-oxanyl]propanoic acid IUPAC Name: 3-[4-amino-3-[2-(4-chloro-2,6-dimethylphenyl)acetyl]-2-methyloxan-4-yl]propanoic acid Traditional Name: 3-[4-amino-3-[2-(4-chloro-2,6-dimethyl-phenyl)acetyl]-2-methyl-tetrahydropyran-4-yl]propionic acid Formula: C19H26ClNO4 MolecularWeight: 367.86704

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CCO1)(CCC(=O)O)N)C(=O)CC2=C(C=C(C=C2C)Cl)C

Isomeric SMILES

CC1C(C(CCO1)(CCC(=O)O)N)C(=O)CC2=C(C=C(C=C2C)Cl)C

InChI

InChI=1S/C19H26ClNO4/c1-11-8-14(20)9-12(2)15(11)10-16(22)18-13(3)25-7-6-19(18,21)5-4-17(23)24/h8-9,13,18H,4-7,10,21H2,1-3H3,(H,23,24)