1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]proline Formula: C15H18ClNO4 MolecularWeight: 311.76072

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CC3=C(C(=C2)Cl)OCCCO3)C(=O)O

Isomeric SMILES

C1CC(N(C1)CC2=CC3=C(C(=C2)Cl)OCCCO3)C(=O)O

InChI

InChI=1S/C15H18ClNO4/c16-11-7-10(8-13-14(11)21-6-2-5-20-13)9-17-4-1-3-12(17)15(18)19/h7-8,12H,1-6,9H2,(H,18,19)