ethanedioic acid; 2-methyl-1-(2-methylphenyl)-1-phenyl-3-pyrrolidin-1-yl-propan-1-ol

Systemtic Name: ethanedioic acid; 2-methyl-1-(2-methylphenyl)-1-phenyl-3-pyrrolidin-1-yl-propan-1-ol Openeye Name: 2-methyl-1-(o-tolyl)-1-phenyl-3-pyrrolidin-1-yl-propan-1-ol; oxalic acid CAS Name: 2-methyl-1-(2-methylphenyl)-1-phenyl-3-(1-pyrrolidinyl)-1-propanol; oxalic acid IUPAC Name: 2-methyl-1-(2-methylphenyl)-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol; oxalic acid Traditional Name: 2-methyl-1-(o-tolyl)-1-phenyl-3-pyrrolidino-propan-1-ol; oxalic acid Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)(C(C)CN3CCCC3)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)(C(C)CN3CCCC3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27NO.C2H2O4/c1-17-10-6-7-13-20(17)21(23,19-11-4-3-5-12-19)18(2)16-22-14-8-9-15-22;3-1(4)2(5)6/h3-7,10-13,18,23H,8-9,14-16H2,1-2H3;(H,3,4)(H,5,6)