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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCO1)(CCC(=O)O)NC(=O)CC2=C(C=C(C=C2C)Cl)C

Isomeric SMILES

CC1CC(CCO1)(CCC(=O)O)NC(=O)CC2=C(C=C(C=C2C)Cl)C

InChI

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