Molecule ID: 15130

IUPAC Name: [(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-yl] acetate

Description: The molecule is an acetate ester and a tertiary amino compound. It has a role as an opioid analgesic and a mu-opioid receptor antagonist.

SMILES: CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1

SELFIES: [C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][O][C][C@H1][Branch1][C][C][N][Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m0/s1

Molecular Properties:
- Polar Surface Area: 29.5 Ų
- LogP: 4.3