methyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)ethanoate

Systemtic Name: methyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)ethanoate Openeye Name: methyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)acetate CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)acetic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)acetate Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)acetic acid methyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNCC1=C2C(=CC=C1)OCCCO2

Isomeric SMILES

COC(=O)CNCC1=C2C(=CC=C1)OCCCO2

InChI

InChI=1S/C13H17NO4/c1-16-12(15)9-14-8-10-4-2-5-11-13(10)18-7-3-6-17-11/h2,4-5,14H,3,6-9H2,1H3