[(1S)-2-oxidanylidenecyclohexyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic 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=C(C=C2)C(=O)OC3CCCCC3=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO3/c1-13-7-8-14(2)20(13)16-11-9-15(10-12-16)19(22)23-18-6-4-3-5-17(18)21/h7-12,18H,3-6H2,1-2H3/t18-/m0/s1