ethyl (2R,3R)-2-butyl-3-ethanoyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate

Systemtic Name: ethyl (2R,3R)-2-butyl-3-ethanoyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate Openeye Name: ethyl (2R,3R)-3-acetyl-2-butyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate CAS Name: (2R,3R)-3-acetyl-2-butyl-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid ethyl ester IUPAC Name: ethyl (2R,3R)-3-acetyl-2-butyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate Traditional Name: (2R,3R)-3-acetyl-2-butyl-1,2,3,4-tetrahydrocarbazole-9-carboxylic acid ethyl ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC2=C(CC1C(=O)C)C3=CC=CC=C3N2C(=O)OCC

Isomeric SMILES

CCCC[C@@H]1CC2=C(C[C@H]1C(=O)C)C3=CC=CC=C3N2C(=O)OCC

InChI

InChI=1S/C21H27NO3/c1-4-6-9-15-12-20-18(13-17(15)14(3)23)16-10-7-8-11-19(16)22(20)21(24)25-5-2/h7-8,10-11,15,17H,4-6,9,12-13H2,1-3H3/t15-,17+/m1/s1