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

Systemtic Name: (5R)-5-azaniumyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanoate Openeye Name: (5R)-5-azaniumyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanoate CAS Name: (5R)-5-ammonio-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanoate IUPAC Name: (5R)-5-azaniumyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanoate Traditional Name: (5R)-5-ammonio-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)valerate Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4/c15-11(3-1-4-14(16)17)10-5-6-12-13(9-10)19-8-2-7-18-12/h5-6,9,11H,1-4,7-8,15H2,(H,16,17)/t11-/m1/s1