2-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-pyrrolidin-1-yl-ethanoic acid

Systemtic Name: 2-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-pyrrolidin-1-yl-ethanoic acid Openeye Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-pyrrolidin-1-yl-acetic acid CAS Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(1-pyrrolidinyl)acetic acid IUPAC Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-pyrrolidin-1-ylacetic acid Traditional Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-pyrrolidino-acetic acid Formula: C15H18BrNO4 MolecularWeight: 356.21172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(C2=CC3=C(C(=C2)Br)OCCCO3)C(=O)O

Isomeric SMILES

C1CCN(C1)C(C2=CC3=C(C(=C2)Br)OCCCO3)C(=O)O

InChI

InChI=1S/C15H18BrNO4/c16-11-8-10(9-12-14(11)21-7-3-6-20-12)13(15(18)19)17-4-1-2-5-17/h8-9,13H,1-7H2,(H,18,19)