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

Systemtic Name: 3-(1-cyclohexyl-3,3-dimethyl-2-benzofuran-1-yl)-N,N-dimethyl-propan-1-amine; ethanedioic acid Openeye Name: 3-(1-cyclohexyl-3,3-dimethyl-isobenzofuran-1-yl)-N,N-dimethyl-propan-1-amine; oxalic acid CAS Name: 3-(1-cyclohexyl-3,3-dimethyl-1-isobenzofuranyl)-N,N-dimethyl-1-propanamine; oxalic acid IUPAC Name: 3-(1-cyclohexyl-3,3-dimethyl-2-benzofuran-1-yl)-N,N-dimethylpropan-1-amine; oxalic acid Traditional Name: 3-(1-cyclohexyl-3,3-dimethyl-phthalan-1-yl)propyl-dimethyl-amine; oxalic acid Formula: C23H35NO5 MolecularWeight: 405.5277

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(O1)(CCCN(C)C)C3CCCCC3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1(C2=CC=CC=C2C(O1)(CCCN(C)C)C3CCCCC3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H33NO.C2H2O4/c1-20(2)18-13-8-9-14-19(18)21(23-20,15-10-16-22(3)4)17-11-6-5-7-12-17;3-1(4)2(5)6/h8-9,13-14,17H,5-7,10-12,15-16H2,1-4H3;(H,3,4)(H,5,6)