2-[(9aS)-3-oxidanylidene-1,2,5,6,7,9a-hexahydropyrrolo[1,2-a]azepin-9-yl]propanoic acid

Systemtic Name: 2-[(9aS)-3-oxidanylidene-1,2,5,6,7,9a-hexahydropyrrolo[1,2-a]azepin-9-yl]propanoic acid Openeye Name: 2-[(9aS)-3-oxo-1,2,5,6,7,9a-hexahydropyrrolo[1,2-a]azepin-9-yl]propanoic acid CAS Name: 2-[(9aS)-3-oxo-1,2,5,6,7,9a-hexahydropyrrolo[1,2-a]azepin-9-yl]propanoic acid IUPAC Name: 2-[(9aS)-3-oxo-1,2,5,6,7,9a-hexahydropyrrolo[1,2-a]azepin-9-yl]propanoic acid Traditional Name: 2-[(9aS)-3-keto-1,2,5,6,7,9a-hexahydropyrrol[1,2-a]azepin-9-yl]propionic acid Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CCCCN2C1CCC2=O)C(=O)O

Isomeric SMILES

CC(C1=CCCCN2[C@H]1CCC2=O)C(=O)O

InChI

InChI=1S/C12H17NO3/c1-8(12(15)16)9-4-2-3-7-13-10(9)5-6-11(13)14/h4,8,10H,2-3,5-7H2,1H3,(H,15,16)/t8?,10-/m0/s1