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

Systemtic Name: [3-[(3R,4S)-1-hexyl-3,4-dimethyl-piperidin-4-yl]phenyl] 2-methylbenzoate Openeye Name: [3-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidyl]phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic 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-methylbenzoate Traditional Name: 2-methylbenzoic acid [3-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidyl]phenyl] ester Formula: C27H37NO2 MolecularWeight: 407.58818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(C(C1)C)(C)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCCCN1CC[C@]([C@H](C1)C)(C)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C27H37NO2/c1-5-6-7-10-17-28-18-16-27(4,22(3)20-28)23-13-11-14-24(19-23)30-26(29)25-15-9-8-12-21(25)2/h8-9,11-15,19,22H,5-7,10,16-18,20H2,1-4H3/t22-,27-/m0/s1