(3S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-4-(4-methylphenyl)butanamide

Systemtic Name: (3S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-4-(4-methylphenyl)butanamide Openeye Name: (3S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-4-(p-tolyl)butanamide CAS Name: (3S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-4-(4-methylphenyl)butanamide IUPAC Name: (3S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-4-(4-methylphenyl)butanamide Traditional Name: (3S)-N-homopiperonyl-3-methyl-4-(p-tolyl)butyramide Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C)CC(=O)NCCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C)CC(=O)NCCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H25NO3/c1-15-3-5-17(6-4-15)11-16(2)12-21(23)22-10-9-18-7-8-19-20(13-18)25-14-24-19/h3-8,13,16H,9-12,14H2,1-2H3,(H,22,23)/t16-/m0/s1