propan-2-yl 7-[(6R)-2-oxidanylidene-6-[(3S)-3-oxidanyl-4-phenyl-butyl]piperidin-1-yl]heptanoate

Systemtic Name: propan-2-yl 7-[(6R)-2-oxidanylidene-6-[(3S)-3-oxidanyl-4-phenyl-butyl]piperidin-1-yl]heptanoate Openeye Name: isopropyl 7-[(2R)-2-[(3S)-3-hydroxy-4-phenyl-butyl]-6-oxo-1-piperidyl]heptanoate CAS Name: 7-[(2R)-2-[(3S)-3-hydroxy-4-phenylbutyl]-6-oxo-1-piperidinyl]heptanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 7-[(2R)-2-[(3S)-3-hydroxy-4-phenylbutyl]-6-oxopiperidin-1-yl]heptanoate Traditional Name: 7-[(2R)-2-[(3S)-3-hydroxy-4-phenyl-butyl]-6-keto-piperidino]enanthic acid isopropyl ester Formula: C25H39NO4 MolecularWeight: 417.58146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCCCCCN1C(CCCC1=O)CCC(CC2=CC=CC=C2)O

Isomeric SMILES

CC(C)OC(=O)CCCCCCN1[C@H](CCCC1=O)CC[C@@H](CC2=CC=CC=C2)O

InChI

InChI=1S/C25H39NO4/c1-20(2)30-25(29)15-8-3-4-9-18-26-22(13-10-14-24(26)28)16-17-23(27)19-21-11-6-5-7-12-21/h5-7,11-12,20,22-23,27H,3-4,8-10,13-19H2,1-2H3/t22-,23+/m1/s1