(3S)-3-(3,4-dimethoxyphenyl)-5-heptylimino-cyclohexan-1-one

Systemtic Name: (3S)-3-(3,4-dimethoxyphenyl)-5-heptylimino-cyclohexan-1-one Openeye Name: (3S)-3-(3,4-dimethoxyphenyl)-5-heptylimino-cyclohexanone CAS Name: (3S)-3-(3,4-dimethoxyphenyl)-5-heptylimino-1-cyclohexanone IUPAC Name: (3S)-3-(3,4-dimethoxyphenyl)-5-heptyliminocyclohexan-1-one Traditional Name: (3S)-3-(3,4-dimethoxyphenyl)-5-heptylimino-cyclohexanone Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN=C1CC(CC(=O)C1)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCCCCN=C1C[C@@H](CC(=O)C1)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H31NO3/c1-4-5-6-7-8-11-22-18-12-17(13-19(23)15-18)16-9-10-20(24-2)21(14-16)25-3/h9-10,14,17H,4-8,11-13,15H2,1-3H3/t17-/m0/s1