tert-butyl (2S)-4-(3-methoxyphenyl)-5-oxidanyl-3-oxidanylidene-2-(phenylmethyl)-2H-pyrrole-1-carboxylate

Systemtic Name: tert-butyl (2S)-4-(3-methoxyphenyl)-5-oxidanyl-3-oxidanylidene-2-(phenylmethyl)-2H-pyrrole-1-carboxylate Openeye Name: tert-butyl (2S)-2-benzyl-5-hydroxy-4-(3-methoxyphenyl)-3-oxo-2H-pyrrole-1-carboxylate CAS Name: (2S)-5-hydroxy-4-(3-methoxyphenyl)-3-oxo-2-(phenylmethyl)-2H-pyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-benzyl-5-hydroxy-4-(3-methoxyphenyl)-3-oxo-2H-pyrrole-1-carboxylate Traditional Name: (2S)-2-benzyl-5-hydroxy-3-keto-4-(3-methoxyphenyl)-2-pyrroline-1-carboxylic acid tert-butyl ester Formula: C23H25NO5 MolecularWeight: 395.4483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C(=O)C(=C1O)C2=CC(=CC=C2)OC)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H](C(=O)C(=C1O)C2=CC(=CC=C2)OC)CC3=CC=CC=C3

InChI

InChI=1S/C23H25NO5/c1-23(2,3)29-22(27)24-18(13-15-9-6-5-7-10-15)20(25)19(21(24)26)16-11-8-12-17(14-16)28-4/h5-12,14,18,26H,13H2,1-4H3/t18-/m0/s1