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

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C20H23NO3 MolecularWeight: 325.40152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)OC3CCCCC3=O

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)O[C@H]3CCCCC3=O

InChI

InChI=1S/C20H23NO3/c1-14-12-17(20(23)24-19-11-7-6-10-18(19)22)15(2)21(14)13-16-8-4-3-5-9-16/h3-5,8-9,12,19H,6-7,10-11,13H2,1-2H3/t19-/m0/s1