(3S,6S,7R,7aR)-7-(1,3-benzodioxol-5-yl)-5-oxidanylidene-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole-6-carboxylic acid

Systemtic Name: (3S,6S,7R,7aR)-7-(1,3-benzodioxol-5-yl)-5-oxidanylidene-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole-6-carboxylic acid Openeye Name: (3S,6S,7R,7aR)-7-(1,3-benzodioxol-5-yl)-5-oxo-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b]oxazole-6-carboxylic acid CAS Name: (3S,6S,7R,7aR)-7-(1,3-benzodioxol-5-yl)-5-oxo-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b]oxazole-6-carboxylic acid IUPAC Name: (3S,6S,7R,7aR)-7-(1,3-benzodioxol-5-yl)-5-oxo-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole-6-carboxylic acid Traditional Name: (3S,6S,7R,7aR)-7-(1,3-benzodioxol-5-yl)-5-keto-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b]oxazole-6-carboxylic acid Formula: C20H17NO6 MolecularWeight: 367.35208

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N2C(O1)C(C(C2=O)C(=O)O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H](N2[C@H](O1)[C@H]([C@@H](C2=O)C(=O)O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C20H17NO6/c22-18-17(20(23)24)16(12-6-7-14-15(8-12)27-10-26-14)19-21(18)13(9-25-19)11-4-2-1-3-5-11/h1-8,13,16-17,19H,9-10H2,(H,23,24)/t13-,16+,17+,19-/m1/s1