ethanedioic acid; 2-(3-fluorophenyl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine

Systemtic Name: ethanedioic acid; 2-(3-fluorophenyl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine Openeye Name: 2-(3-fluorophenyl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine; oxalic acid CAS Name: 2-(3-fluorophenyl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine; oxalic acid IUPAC Name: 2-(3-fluorophenyl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine; oxalic acid Traditional Name: 2-(3-fluorophenyl)ethyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amine; oxalic acid Formula: C19H20FNO7 MolecularWeight: 393.363003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)CNCCC3=CC(=CC=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)CNCCC3=CC(=CC=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18FNO3.C2H2O4/c1-20-15-8-13(9-16-17(15)22-11-21-16)10-19-6-5-12-3-2-4-14(18)7-12;3-1(4)2(5)6/h2-4,7-9,19H,5-6,10-11H2,1H3;(H,3,4)(H,5,6)