4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]butanoic acid

Systemtic Name: 4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]butanoic acid Openeye Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]butanoic acid CAS Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]butanoic acid IUPAC Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]butanoic acid Traditional Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]butyric acid Formula: C14H18ClNO4 MolecularWeight: 299.75002

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNCCCC(=O)O)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNCCCC(=O)O)Cl)OC1

InChI

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