4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxidanyl-3-oxidanylidene-2-(phenylmethyl)-2H-pyrrol-4-yl]benzoic acid

Systemtic Name: 4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxidanyl-3-oxidanylidene-2-(phenylmethyl)-2H-pyrrol-4-yl]benzoic acid Openeye Name: 4-[(2S)-2-benzyl-1-tert-butoxycarbonyl-5-hydroxy-3-oxo-2H-pyrrol-4-yl]benzoic acid CAS Name: 4-[(2S)-5-hydroxy-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-oxo-2-(phenylmethyl)-2H-pyrrol-4-yl]benzoic acid IUPAC Name: 4-[(2S)-2-benzyl-5-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2H-pyrrol-4-yl]benzoic acid Traditional Name: 4-[(5S)-5-benzyl-1-tert-butoxycarbonyl-2-hydroxy-4-keto-2-pyrrolin-3-yl]benzoic acid Formula: C23H23NO6 MolecularWeight: 409.43182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO6/c1-23(2,3)30-22(29)24-17(13-14-7-5-4-6-8-14)19(25)18(20(24)26)15-9-11-16(12-10-15)21(27)28/h4-12,17,26H,13H2,1-3H3,(H,27,28)/t17-/m0/s1