[3-[(3R,4S)-1-hexyl-3,4-dimethyl-piperidin-4-yl]phenyl] 2-oxidanylbenzoate

Systemtic Name: [3-[(3R,4S)-1-hexyl-3,4-dimethyl-piperidin-4-yl]phenyl] 2-oxidanylbenzoate Openeye Name: [3-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidyl]phenyl] 2-hydroxybenzoate CAS Name: 2-hydroxybenzoic acid [3-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidinyl]phenyl] ester IUPAC Name: [3-[(3R,4S)-1-hexyl-3,4-dimethylpiperidin-4-yl]phenyl] 2-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid [3-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidyl]phenyl] ester Formula: C26H35NO3 MolecularWeight: 409.561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(C(C1)C)(C)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3O

Isomeric SMILES

CCCCCCN1CC[C@]([C@H](C1)C)(C)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3O

InChI

InChI=1S/C26H35NO3/c1-4-5-6-9-16-27-17-15-26(3,20(2)19-27)21-11-10-12-22(18-21)30-25(29)23-13-7-8-14-24(23)28/h7-8,10-14,18,20,28H,4-6,9,15-17,19H2,1-3H3/t20-,26-/m0/s1