2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine; ethanedioic acid

Systemtic Name: 2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine; ethanedioic acid Openeye Name: 2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine; oxalic acid CAS Name: 2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine; oxalic acid IUPAC Name: 2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine; oxalic acid Traditional Name: 2-(3-chlorophenyl)ethyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amine; oxalic acid Formula: C19H20ClNO6 MolecularWeight: 393.8182

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CNCCC3=CC(=CC=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CNCCC3=CC(=CC=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18ClNO2.C2H2O4/c18-15-3-1-2-13(10-15)6-7-19-12-14-4-5-16-17(11-14)21-9-8-20-16;3-1(4)2(5)6/h1-5,10-11,19H,6-9,12H2;(H,3,4)(H,5,6)