(phenylmethyl) 5,5-dimethyl-7-oxidanylidene-2,3,4,6-tetrahydrocyclopenta[b]pyridine-1-carboxylate

Systemtic Name: (phenylmethyl) 5,5-dimethyl-7-oxidanylidene-2,3,4,6-tetrahydrocyclopenta[b]pyridine-1-carboxylate Openeye Name: benzyl 5,5-dimethyl-7-oxo-2,3,4,6-tetrahydrocyclopenta[b]pyridine-1-carboxylate CAS Name: 5,5-dimethyl-7-oxo-2,3,4,6-tetrahydrocyclopenta[b]pyridine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5,5-dimethyl-7-oxo-2,3,4,6-tetrahydrocyclopenta[b]pyridine-1-carboxylate Traditional Name: 7-keto-5,5-dimethyl-2,3,4,6-tetrahydro-1-pyrindine-1-carboxylic acid benzyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C1CCCN2C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=O)C2=C1CCCN2C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C18H21NO3/c1-18(2)11-15(20)16-14(18)9-6-10-19(16)17(21)22-12-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3