4-[[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonylphenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonylphenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[oxo-[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[(2S)-2-(pyrrolidinomethyl)pyrrolidine-1-carbonyl]phenoxy]methyl]benzoic acid Formula: C24H28N2O4 MolecularWeight: 408.49012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CCCN2C(=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCN(C1)C[C@@H]2CCCN2C(=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H28N2O4/c27-23(26-15-3-4-21(26)16-25-13-1-2-14-25)19-9-11-22(12-10-19)30-17-18-5-7-20(8-6-18)24(28)29/h5-12,21H,1-4,13-17H2,(H,28,29)/t21-/m0/s1