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

Systemtic Name: methyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-2-methyl-propanoate Openeye Name: methyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-2-methyl-propanoate CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-2-methylpropanoate Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-2-methyl-propionic acid methyl ester Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NCC1=C2C(=CC=C1)OCCCO2

Isomeric SMILES

CC(C)(C(=O)OC)NCC1=C2C(=CC=C1)OCCCO2

InChI

InChI=1S/C15H21NO4/c1-15(2,14(17)18-3)16-10-11-6-4-7-12-13(11)20-9-5-8-19-12/h4,6-7,16H,5,8-10H2,1-3H3