4-[(2R,3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-ethenyl-oxolan-2-yl]-N,N-dimethyl-aniline

Systemtic Name: 4-[(2R,3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-ethenyl-oxolan-2-yl]-N,N-dimethyl-aniline Openeye Name: 4-[(2R,3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-vinyl-tetrahydrofuran-2-yl]-N,N-dimethyl-aniline CAS Name: 4-[(2R,3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-ethenyl-2-oxolanyl]-N,N-dimethylaniline IUPAC Name: 4-[(2R,3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-ethenyloxolan-2-yl]-N,N-dimethylaniline Traditional Name: dimethyl-[4-[(2R,3S,4S)-4-piperonyl-3-vinyl-tetrahydrofuran-2-yl]phenyl]amine Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2C(C(CO2)CC3=CC4=C(C=C3)OCO4)C=C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H]2[C@H]([C@@H](CO2)CC3=CC4=C(C=C3)OCO4)C=C

InChI

InChI=1S/C22H25NO3/c1-4-19-17(11-15-5-10-20-21(12-15)26-14-25-20)13-24-22(19)16-6-8-18(9-7-16)23(2)3/h4-10,12,17,19,22H,1,11,13-14H2,2-3H3/t17-,19+,22+/m1/s1