2-(oxan-4-ylmethyl)-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazine-1-carboxylic acid

Systemtic Name: 2-(oxan-4-ylmethyl)-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazine-1-carboxylic acid Openeye Name: 2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2-(tetrahydropyran-4-ylmethyl)piperazine-1-carboxylic acid CAS Name: 2-(4-oxanylmethyl)-2-[4-[3-(1-pyrrolidinyl)propoxy]phenyl]-1-piperazinecarboxylic acid IUPAC Name: 2-(oxan-4-ylmethyl)-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazine-1-carboxylic acid Traditional Name: 2-[4-(3-pyrrolidinopropoxy)phenyl]-2-(tetrahydropyran-4-ylmethyl)piperazine-1-carboxylic acid Formula: C24H37N3O4 MolecularWeight: 431.56828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCOC2=CC=C(C=C2)C3(CNCCN3C(=O)O)CC4CCOCC4

Isomeric SMILES

C1CCN(C1)CCCOC2=CC=C(C=C2)C3(CNCCN3C(=O)O)CC4CCOCC4

InChI

InChI=1S/C24H37N3O4/c28-23(29)27-14-10-25-19-24(27,18-20-8-16-30-17-9-20)21-4-6-22(7-5-21)31-15-3-13-26-11-1-2-12-26/h4-7,20,25H,1-3,8-19H2,(H,28,29)