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Trandolapril Benzyl Ester , CAS No.98677-37-3
Names and Identifiers
IUPAC Name | benzyl (2R,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate |
INCHI | InChI=1S/C31H40N2O5/c1-3-37-30(35)26(19-18-23-12-6-4-7-13-23)32-22(2)29(34)33-27-17-11-10-16-25(27)20-28(33)31(36)38-21-24-14-8-5-9-15-24/h4-9,12-15,22,25-28,32H,3,10-11,16-21H2,1-2H3/t22-,25-,26-,27-,28+/m0/s1 |
InChi Key | UROPPNGEPNCIGO-CPFCZLQXSA-N |
Canonical SMILES | CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCCC3CC2C(=O)OCC4=CC=CC=C4 |
Isomeric SMILES | CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H]3CCCC[C@H]3C[C@@H]2C(=O)OCC4=CC=CC=C4 |
PubChem CID | 13178880 |
Molecular Weight | 520.66 |
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