| Identification | Back Directory | [Name]
3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-2-(4-Methoxyphenyl)-, ethyl ester, (2α,3α,4α)- | [CAS]
173937-93-4 | [Synonyms]
SUCOGDSEXBRYSF-PWIZWCRZSA-N
(2S,3S,4R)-ethyl 4-(benzo[d][1,3]dioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate
3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-, ethyl ester, (2R,3S,4S)-rel- | [Molecular Formula]
C21H23NO5 | [MDL Number]
MFCD28386859 | [MOL File]
173937-93-4.mol | [Molecular Weight]
369.41 |
| Chemical Properties | Back Directory | [Boiling point ]
498.6±45.0 °C(Predicted) | [density ]
1?+-.0.06 g/cm3(Predicted) | [pka]
8.78±0.10(Predicted) | [InChI]
InChI=1/C21H23NO5/c1-3-25-21(23)19-16(14-6-9-17-18(10-14)27-12-26-17)11-22-20(19)13-4-7-15(24-2)8-5-13/h4-10,16,19-20,22H,3,11-12H2,1-2H3/t16-,19+,20+/s3 | [InChIKey]
SUCOGDSEXBRYSF-MLKKLLFFNA-N | [SMILES]
N1C[C@H](C2=CC=C3OCOC3=C2)[C@H](C(OCC)=O)[C@@H]1C1=CC=C(OC)C=C1 |&1:2,12,18,r| |
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