3-(3,3-dimethyl-1H-2-benzofuran-1-yl)-N-methyl-propan-1-amine; ethanedioic acid

Systemtic Name: 3-(3,3-dimethyl-1H-2-benzofuran-1-yl)-N-methyl-propan-1-amine; ethanedioic acid Openeye Name: 3-(3,3-dimethyl-1H-isobenzofuran-1-yl)-N-methyl-propan-1-amine; oxalic acid CAS Name: 3-(3,3-dimethyl-1H-isobenzofuran-1-yl)-N-methyl-1-propanamine; oxalic acid IUPAC Name: 3-(3,3-dimethyl-1H-2-benzofuran-1-yl)-N-methylpropan-1-amine; oxalic acid Traditional Name: 3-(3,3-dimethylphthalan-1-yl)propyl-methyl-amine; oxalic acid Formula: C16H23NO5 MolecularWeight: 309.35752

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(O1)CCCNC)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1(C2=CC=CC=C2C(O1)CCCNC)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21NO.C2H2O4/c1-14(2)12-8-5-4-7-11(12)13(16-14)9-6-10-15-3;3-1(4)2(5)6/h4-5,7-8,13,15H,6,9-10H2,1-3H3;(H,3,4)(H,5,6)