(2S)-2-(1,3-benzodioxol-5-yloxy)-N-(4-bromanyl-2-chloranyl-phenyl)butanamide

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(4-bromanyl-2-chloranyl-phenyl)butanamide Openeye Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(4-bromo-2-chloro-phenyl)butanamide CAS Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(4-bromo-2-chlorophenyl)butanamide IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(4-bromo-2-chlorophenyl)butanamide Traditional Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(4-bromo-2-chloro-phenyl)butyramide Formula: C17H15BrClNO4 MolecularWeight: 412.6623

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)Br)Cl)OC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[C@@H](C(=O)NC1=C(C=C(C=C1)Br)Cl)OC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H15BrClNO4/c1-2-14(17(21)20-13-5-3-10(18)7-12(13)19)24-11-4-6-15-16(8-11)23-9-22-15/h3-8,14H,2,9H2,1H3,(H,20,21)/t14-/m0/s1