3-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)propan-1-amine; ethanedioic acid

Systemtic Name: 3-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)propan-1-amine; ethanedioic acid Openeye Name: 3-(3,3-dimethyl-1-phenyl-isobenzofuran-1-yl)propan-1-amine; oxalic acid CAS Name: 3-(3,3-dimethyl-1-phenyl-1-isobenzofuranyl)-1-propanamine; oxalic acid IUPAC Name: 3-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)propan-1-amine; oxalic acid Traditional Name: 3-(3,3-dimethyl-1-phenyl-phthalan-1-yl)propylamine; oxalic acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(O1)(CCCN)C3=CC=CC=C3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1(C2=CC=CC=C2C(O1)(CCCN)C3=CC=CC=C3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23NO.C2H2O4/c1-18(2)16-11-6-7-12-17(16)19(21-18,13-8-14-20)15-9-4-3-5-10-15;3-1(4)2(5)6/h3-7,9-12H,8,13-14,20H2,1-2H3;(H,3,4)(H,5,6)