(phenylmethyl) (2S)-3-oxidanylidene-2-(phenylmethyl)-5-propyl-2H-pyrrole-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-3-oxidanylidene-2-(phenylmethyl)-5-propyl-2H-pyrrole-1-carboxylate Openeye Name: benzyl (2S)-2-benzyl-3-oxo-5-propyl-2H-pyrrole-1-carboxylate CAS Name: (2S)-3-oxo-2-(phenylmethyl)-5-propyl-2H-pyrrole-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-benzyl-3-oxo-5-propyl-2H-pyrrole-1-carboxylate Traditional Name: (2S)-2-benzyl-3-keto-5-propyl-2-pyrroline-1-carboxylic acid benzyl ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)C(N1C(=O)OCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=O)[C@@H](N1C(=O)OCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H23NO3/c1-2-9-19-15-21(24)20(14-17-10-5-3-6-11-17)23(19)22(25)26-16-18-12-7-4-8-13-18/h3-8,10-13,15,20H,2,9,14,16H2,1H3/t20-/m0/s1