(3S,9S,9aS)-4'-methyl-5'-oxidanylidene-spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,2'-furan]-3-carboxylic acid

Systemtic Name: (3S,9S,9aS)-4'-methyl-5'-oxidanylidene-spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,2'-furan]-3-carboxylic acid Openeye Name: (3S,9S,9aS)-4'-methyl-5'-oxo-spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,2'-furan]-3-carboxylic acid CAS Name: (3S,9S,9aS)-4'-methyl-5'-oxo-3-spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,2'-furan]carboxylic acid IUPAC Name: (3S,9S,9aS)-4'-methyl-5'-oxospiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,2'-furan]-3-carboxylic acid Traditional Name: (3S,9S,9aS)-5'-keto-4'-methyl-spiro[1,2,3,5,6,7,8,9a-octahydropyrrol[1,2-a]azepine-9,2'-furan]-3-carboxylic acid Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2(CCCCN3C2CCC3C(=O)O)OC1=O

Isomeric SMILES

CC1=C[C@]2(CCCCN3[C@H]2CC[C@H]3C(=O)O)OC1=O

InChI

InChI=1S/C14H19NO4/c1-9-8-14(19-13(9)18)6-2-3-7-15-10(12(16)17)4-5-11(14)15/h8,10-11H,2-7H2,1H3,(H,16,17)/t10-,11-,14-/m0/s1