[(1R)-1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [(1R)-1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [(1R)-2-oxo-1,2-bis(p-tolyl)ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [(1R)-2-keto-1,2-bis(p-tolyl)ethyl] ester Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC=CN3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC=CN3

InChI

InChI=1S/C21H19NO3/c1-14-5-9-16(10-6-14)19(23)20(17-11-7-15(2)8-12-17)25-21(24)18-4-3-13-22-18/h3-13,20,22H,1-2H3/t20-/m1/s1