[(1S,2R,3S)-3-morpholin-4-yl-2-[(4-phenylphenyl)methoxy]cyclopentyl] heptanoate

Systemtic Name: [(1S,2R,3S)-3-morpholin-4-yl-2-[(4-phenylphenyl)methoxy]cyclopentyl] heptanoate Openeye Name: [(1S,2R,3S)-3-morpholino-2-[(4-phenylphenyl)methoxy]cyclopentyl] heptanoate CAS Name: heptanoic acid [(1S,2R,3S)-3-(4-morpholinyl)-2-[(4-phenylphenyl)methoxy]cyclopentyl] ester IUPAC Name: [(1S,2R,3S)-3-morpholin-4-yl-2-[(4-phenylphenyl)methoxy]cyclopentyl] heptanoate Traditional Name: enanthic acid [(1S,2R,3S)-3-morpholino-2-(4-phenylbenzyl)oxy-cyclopentyl] ester Formula: C29H39NO4 MolecularWeight: 465.62426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1CCC(C1OCC2=CC=C(C=C2)C3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CCCCCCC(=O)O[C@H]1CC[C@@H]([C@H]1OCC2=CC=C(C=C2)C3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C29H39NO4/c1-2-3-4-8-11-28(31)34-27-17-16-26(30-18-20-32-21-19-30)29(27)33-22-23-12-14-25(15-13-23)24-9-6-5-7-10-24/h5-7,9-10,12-15,26-27,29H,2-4,8,11,16-22H2,1H3/t26-,27-,29+/m0/s1