(phenylmethyl) (4S,5S)-4-tert-butyl-5-methyl-7-oxidanylidene-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyridine-1-carboxylate

Systemtic Name: (phenylmethyl) (4S,5S)-4-tert-butyl-5-methyl-7-oxidanylidene-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyridine-1-carboxylate Openeye Name: benzyl (4S,5S)-4-tert-butyl-5-methyl-7-oxo-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyridine-1-carboxylate CAS Name: (4S,5S)-4-tert-butyl-5-methyl-7-oxo-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyridine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S,5S)-4-tert-butyl-5-methyl-7-oxo-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyridine-1-carboxylate Traditional Name: (4S,5S)-4-tert-butyl-7-keto-5-methyl-3,4,5,6-tetrahydro-2H-1-pyrindine-1-carboxylic acid benzyl ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C1C(CCN2C(=O)OCC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

C[C@H]1CC(=O)C2=C1[C@@H](CCN2C(=O)OCC3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C21H27NO3/c1-14-12-17(23)19-18(14)16(21(2,3)4)10-11-22(19)20(24)25-13-15-8-6-5-7-9-15/h5-9,14,16H,10-13H2,1-4H3/t14-,16+/m0/s1