(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-N-[(2S)-5-methylhexan-2-yl]prop-2-enamide

Systemtic Name: (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-N-[(2S)-5-methylhexan-2-yl]prop-2-enamide Openeye Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-[(1S)-1,4-dimethylpentyl]prop-2-enamide CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-[(2S)-5-methylhexan-2-yl]-2-propenamide IUPAC Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-[(2S)-5-methylhexan-2-yl]prop-2-enamide Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-[(1S)-1,4-dimethylpentyl]acrylamide Formula: C17H22ClNO3 MolecularWeight: 323.81448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)C=CC1=CC2=C(C(=C1)Cl)OCO2

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=O)/C=C/C1=CC2=C(C(=C1)Cl)OCO2

InChI

InChI=1S/C17H22ClNO3/c1-11(2)4-5-12(3)19-16(20)7-6-13-8-14(18)17-15(9-13)21-10-22-17/h6-9,11-12H,4-5,10H2,1-3H3,(H,19,20)/b7-6+/t12-/m0/s1