[(1S)-2-oxidanylidenecyclohexyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-phenyl-3-pyrrolecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C19H21NO3 MolecularWeight: 311.37494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OC3CCCCC3=O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)O[C@H]3CCCCC3=O

InChI

InChI=1S/C19H21NO3/c1-13-12-16(14(2)20(13)15-8-4-3-5-9-15)19(22)23-18-11-7-6-10-17(18)21/h3-5,8-9,12,18H,6-7,10-11H2,1-2H3/t18-/m0/s1