2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(2-methylphenyl)ethanone; ethanedioic acid

Systemtic Name: 2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(2-methylphenyl)ethanone; ethanedioic acid Openeye Name: 2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(o-tolyl)ethanone; oxalic acid CAS Name: 2-[3,5-dimethyl-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1-(2-methylphenyl)ethanone; oxalic acid IUPAC Name: 2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(2-methylphenyl)ethanone; oxalic acid Traditional Name: 2-[3,5-dimethyl-4-(2-pyrrolidinoethoxy)phenyl]-1-(o-tolyl)ethanone; oxalic acid Formula: C25H31NO6 MolecularWeight: 441.51674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CC2=CC(=C(C(=C2)C)OCCN3CCCC3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)CC2=CC(=C(C(=C2)C)OCCN3CCCC3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H29NO2.C2H2O4/c1-17-8-4-5-9-21(17)22(25)16-20-14-18(2)23(19(3)15-20)26-13-12-24-10-6-7-11-24;3-1(4)2(5)6/h4-5,8-9,14-15H,6-7,10-13,16H2,1-3H3;(H,3,4)(H,5,6)