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

Systemtic Name: (3S,6S,7S,7aR)-7-butyl-5-oxidanylidene-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole-6-carboxylic acid Openeye Name: (3S,6S,7S,7aR)-7-butyl-5-oxo-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b]oxazole-6-carboxylic acid CAS Name: (3S,6S,7S,7aR)-7-butyl-5-oxo-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b]oxazole-6-carboxylic acid IUPAC Name: (3S,6S,7S,7aR)-7-butyl-5-oxo-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole-6-carboxylic acid Traditional Name: (3S,6S,7S,7aR)-7-butyl-5-keto-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b]oxazole-6-carboxylic acid Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C(=O)N2C1OCC2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCC[C@H]1[C@@H](C(=O)N2[C@@H]1OC[C@@H]2C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H21NO4/c1-2-3-9-12-14(17(20)21)15(19)18-13(10-22-16(12)18)11-7-5-4-6-8-11/h4-8,12-14,16H,2-3,9-10H2,1H3,(H,20,21)/t12-,13+,14-,16+/m0/s1