2-(3,3-dimethyl-1-pyrrolidin-1-yl-butan-2-yl)oxycarbonylbenzoic acid

Systemtic Name: 2-(3,3-dimethyl-1-pyrrolidin-1-yl-butan-2-yl)oxycarbonylbenzoic acid Openeye Name: 2-[2,2-dimethyl-1-(pyrrolidin-1-ylmethyl)propoxy]carbonylbenzoic acid CAS Name: 2-[[3,3-dimethyl-1-(1-pyrrolidinyl)butan-2-yl]oxy-oxomethyl]benzoic acid IUPAC Name: 2-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)oxycarbonylbenzoic acid Traditional Name: 2-[2,2-dimethyl-1-(pyrrolidinomethyl)propoxy]carbonylbenzoic acid Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1CCCC1)OC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)(C)C(CN1CCCC1)OC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H25NO4/c1-18(2,3)15(12-19-10-6-7-11-19)23-17(22)14-9-5-4-8-13(14)16(20)21/h4-5,8-9,15H,6-7,10-12H2,1-3H3,(H,20,21)