ethanedioic acid; 2-methylpropyl 4-[3-(dimethylamino)-1-pyridin-2-yl-propyl]benzoate

Systemtic Name: ethanedioic acid; 2-methylpropyl 4-[3-(dimethylamino)-1-pyridin-2-yl-propyl]benzoate Openeye Name: isobutyl 4-[3-(dimethylamino)-1-(2-pyridyl)propyl]benzoate; oxalic acid CAS Name: 4-[3-(dimethylamino)-1-(2-pyridinyl)propyl]benzoic acid 2-methylpropyl ester; oxalic acid IUPAC Name: 2-methylpropyl 4-[3-(dimethylamino)-1-pyridin-2-ylpropyl]benzoate; oxalic acid Traditional Name: 4-[3-(dimethylamino)-1-(2-pyridyl)propyl]benzoic acid isobutyl ester; oxalic acid Formula: C23H30N2O6 MolecularWeight: 430.4941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)C(CCN(C)C)C2=CC=CC=N2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)C(CCN(C)C)C2=CC=CC=N2.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28N2O2.C2H2O4/c1-16(2)15-25-21(24)18-10-8-17(9-11-18)19(12-14-23(3)4)20-7-5-6-13-22-20;3-1(4)2(5)6/h5-11,13,16,19H,12,14-15H2,1-4H3;(H,3,4)(H,5,6)