5-azanyl-5-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pentanoic acid

Systemtic Name: 5-azanyl-5-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pentanoic acid Openeye Name: 5-amino-5-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pentanoic acid CAS Name: 5-amino-5-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pentanoic acid IUPAC Name: 5-amino-5-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pentanoic acid Traditional Name: 5-amino-5-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)valeric acid Formula: C14H18ClNO4 MolecularWeight: 299.75002

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(CCCC(=O)O)N)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(CCCC(=O)O)N)Cl)OC1

InChI

InChI=1S/C14H18ClNO4/c15-10-8-13-12(19-5-2-6-20-13)7-9(10)11(16)3-1-4-14(17)18/h7-8,11H,1-6,16H2,(H,17,18)