N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoranyl-2-methyl-aniline; ethanedioic acid

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoranyl-2-methyl-aniline; ethanedioic acid Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-2-methyl-aniline; oxalic acid CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-2-methylaniline; oxalic acid IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-2-methylaniline; oxalic acid Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-(4-fluoro-2-methyl-phenyl)amine; oxalic acid Formula: C18H18FNO6 MolecularWeight: 363.337023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)NCC2=CC3=C(C=C2)OCCO3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)F)NCC2=CC3=C(C=C2)OCCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H16FNO2.C2H2O4/c1-11-8-13(17)3-4-14(11)18-10-12-2-5-15-16(9-12)20-7-6-19-15;3-1(4)2(5)6/h2-5,8-9,18H,6-7,10H2,1H3;(H,3,4)(H,5,6)