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

Systemtic Name: methyl 2-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-4-oxidanyl-piperidine-1-carboxylate Openeye Name: methyl 2-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-4-hydroxy-piperidine-1-carboxylate CAS Name: 4-hydroxy-2-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-hydroxy-2-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]piperidine-1-carboxylate Traditional Name: 2-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]-4-hydroxy-piperidine-1-carboxylic acid methyl ester Formula: C29H41NO4 MolecularWeight: 467.64014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H41NO4/c1-5-6-7-11-17-29(2,3)23-14-15-25(26-20-24(31)16-18-30(26)28(32)33-4)27(19-23)34-21-22-12-9-8-10-13-22/h8-10,12-15,19,24,26,31H,5-7,11,16-18,20-21H2,1-4H3