2-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-4-oxidanyl-piperidine-1-carbaldehyde

Systemtic Name: 2-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-4-oxidanyl-piperidine-1-carbaldehyde Openeye Name: 2-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-4-hydroxy-piperidine-1-carbaldehyde CAS Name: 4-hydroxy-2-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-piperidinecarboxaldehyde IUPAC Name: 4-hydroxy-2-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]piperidine-1-carbaldehyde Traditional Name: 2-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]-4-hydroxy-piperidine-1-carbaldehyde Formula: C28H39NO3 MolecularWeight: 437.61416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCN2C=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCN2C=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H39NO3/c1-4-5-6-10-16-28(2,3)23-13-14-25(26-19-24(31)15-17-29(26)21-30)27(18-23)32-20-22-11-8-7-9-12-22/h7-9,11-14,18,21,24,26,31H,4-6,10,15-17,19-20H2,1-3H3