2-[4-[4-(dimethylaminomethyl)oxan-4-yl]phenoxy]-2-propyl-piperazine-1-carboxylic acid

Systemtic Name: 2-[4-[4-(dimethylaminomethyl)oxan-4-yl]phenoxy]-2-propyl-piperazine-1-carboxylic acid Openeye Name: 2-[4-[4-(dimethylaminomethyl)tetrahydropyran-4-yl]phenoxy]-2-propyl-piperazine-1-carboxylic acid CAS Name: 2-[4-[4-(dimethylaminomethyl)-4-oxanyl]phenoxy]-2-propyl-1-piperazinecarboxylic acid IUPAC Name: 2-[4-[4-(dimethylaminomethyl)oxan-4-yl]phenoxy]-2-propylpiperazine-1-carboxylic acid Traditional Name: 2-[4-[4-(dimethylaminomethyl)tetrahydropyran-4-yl]phenoxy]-2-propyl-piperazine-1-carboxylic acid Formula: C22H35N3O4 MolecularWeight: 405.531

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CNCCN1C(=O)O)OC2=CC=C(C=C2)C3(CCOCC3)CN(C)C

Isomeric SMILES

CCCC1(CNCCN1C(=O)O)OC2=CC=C(C=C2)C3(CCOCC3)CN(C)C

InChI

InChI=1S/C22H35N3O4/c1-4-9-22(16-23-12-13-25(22)20(26)27)29-19-7-5-18(6-8-19)21(17-24(2)3)10-14-28-15-11-21/h5-8,23H,4,9-17H2,1-3H3,(H,26,27)