(3R,4S)-1-butyl-3-(1-oxidanyl-1-phenyl-ethyl)-4-pentyl-pyrrolidine-2,5-dione

Systemtic Name: (3R,4S)-1-butyl-3-(1-oxidanyl-1-phenyl-ethyl)-4-pentyl-pyrrolidine-2,5-dione Openeye Name: (3R,4S)-1-butyl-3-(1-hydroxy-1-phenyl-ethyl)-4-pentyl-pyrrolidine-2,5-dione CAS Name: (3R,4S)-1-butyl-3-(1-hydroxy-1-phenylethyl)-4-pentylpyrrolidine-2,5-dione IUPAC Name: (3R,4S)-1-butyl-3-(1-hydroxy-1-phenylethyl)-4-pentylpyrrolidine-2,5-dione Traditional Name: (3S,4R)-3-amyl-1-butyl-4-(1-hydroxy-1-phenyl-ethyl)pyrrolidine-2,5-quinone Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(C(=O)N(C1=O)CCCC)C(C)(C2=CC=CC=C2)O

Isomeric SMILES

CCCCC[C@H]1[C@@H](C(=O)N(C1=O)CCCC)C(C)(C2=CC=CC=C2)O

InChI

InChI=1S/C21H31NO3/c1-4-6-9-14-17-18(20(24)22(19(17)23)15-7-5-2)21(3,25)16-12-10-8-11-13-16/h8,10-13,17-18,25H,4-7,9,14-15H2,1-3H3/t17-,18-,21?/m0/s1