(4R)-4-azaniumyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoate

Systemtic Name: (4R)-4-azaniumyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoate Openeye Name: (4R)-4-azaniumyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoate CAS Name: (4R)-4-ammonio-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoate IUPAC Name: (4R)-4-azaniumyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoate Traditional Name: (4R)-4-ammonio-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butyrate Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(CCC(=O)[O-])[NH3+])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)[C@@H](CCC(=O)[O-])[NH3+])OC1

InChI

InChI=1S/C13H17NO4/c14-10(3-5-13(15)16)9-2-4-11-12(8-9)18-7-1-6-17-11/h2,4,8,10H,1,3,5-7,14H2,(H,15,16)/t10-/m1/s1