(5S)-3-(1,3-benzodioxol-5-ylmethylimino)-5-(4-methoxyphenyl)cyclohexan-1-one

Systemtic Name: (5S)-3-(1,3-benzodioxol-5-ylmethylimino)-5-(4-methoxyphenyl)cyclohexan-1-one Openeye Name: (5S)-3-(1,3-benzodioxol-5-ylmethylimino)-5-(4-methoxyphenyl)cyclohexanone CAS Name: (5S)-3-(1,3-benzodioxol-5-ylmethylimino)-5-(4-methoxyphenyl)-1-cyclohexanone IUPAC Name: (5S)-3-(1,3-benzodioxol-5-ylmethylimino)-5-(4-methoxyphenyl)cyclohexan-1-one Traditional Name: (3S)-3-(4-methoxyphenyl)-5-piperonylimino-cyclohexanone Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NCC3=CC4=C(C=C3)OCO4)CC(=O)C2

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NCC3=CC4=C(C=C3)OCO4)CC(=O)C2

InChI

InChI=1S/C21H21NO4/c1-24-19-5-3-15(4-6-19)16-9-17(11-18(23)10-16)22-12-14-2-7-20-21(8-14)26-13-25-20/h2-8,16H,9-13H2,1H3/t16-/m0/s1