1,3-dipyrrolidin-1-ylpropan-2-yl 2,6-dimethylbenzoate

Systemtic Name: 1,3-dipyrrolidin-1-ylpropan-2-yl 2,6-dimethylbenzoate Openeye Name: [2-pyrrolidin-1-yl-1-(pyrrolidin-1-ylmethyl)ethyl] 2,6-dimethylbenzoate CAS Name: 2,6-dimethylbenzoic acid 1,3-bis(1-pyrrolidinyl)propan-2-yl ester IUPAC Name: 1,3-dipyrrolidin-1-ylpropan-2-yl 2,6-dimethylbenzoate Traditional Name: 2,6-dimethylbenzoic acid [2-pyrrolidino-1-(pyrrolidinomethyl)ethyl] ester Formula: C20H30N2O2 MolecularWeight: 330.4644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C(=O)OC(CN2CCCC2)CN3CCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)C(=O)OC(CN2CCCC2)CN3CCCC3

InChI

InChI=1S/C20H30N2O2/c1-16-8-7-9-17(2)19(16)20(23)24-18(14-21-10-3-4-11-21)15-22-12-5-6-13-22/h7-9,18H,3-6,10-15H2,1-2H3