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

Systemtic Name: methyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-3-methyl-butanoate Openeye Name: methyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-3-methyl-butanoate CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-3-methylbutanoate Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-3-methyl-butyric acid methyl ester Formula: C16H23NO4 MolecularWeight: 293.35812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO4/c1-11(2)14(16(18)19-3)17-10-12-6-4-7-13-15(12)21-9-5-8-20-13/h4,6-7,11,14,17H,5,8-10H2,1-3H3