(2S)-2-(4-chloranyl-2-methyl-phenoxy)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)propanamide

Systemtic Name: (2S)-2-(4-chloranyl-2-methyl-phenoxy)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)propanamide Openeye Name: (2S)-N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chloro-2-methyl-phenoxy)propanamide CAS Name: (2S)-N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide IUPAC Name: (2S)-N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide Traditional Name: (2S)-N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chloro-2-methyl-phenoxy)propionamide Formula: C19H18ClNO5 MolecularWeight: 375.80292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)O[C@@H](C)C(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

InChI

InChI=1S/C19H18ClNO5/c1-10-6-13(20)4-5-16(10)26-12(3)19(23)21-15-8-18-17(24-9-25-18)7-14(15)11(2)22/h4-8,12H,9H2,1-3H3,(H,21,23)/t12-/m0/s1