2-(azepan-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone; ethanedioic acid

Systemtic Name: 2-(azepan-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone; ethanedioic acid Openeye Name: 2-(azepan-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone; oxalic acid CAS Name: 2-(1-azepanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone; oxalic acid IUPAC Name: 2-(azepan-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone; oxalic acid Traditional Name: 2-(azepan-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone; oxalic acid Formula: C18H23NO7 MolecularWeight: 365.37772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(=O)C2=CC3=C(C=C2)OCCO3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)CC(=O)C2=CC3=C(C=C2)OCCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H21NO3.C2H2O4/c18-14(12-17-7-3-1-2-4-8-17)13-5-6-15-16(11-13)20-10-9-19-15;3-1(4)2(5)6/h5-6,11H,1-4,7-10,12H2;(H,3,4)(H,5,6)