tert-butyl 4-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[4-[3-[(2S)-2-methyl-1-pyrrolidinyl]propoxy]phenyl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-3-oxopiperazine-1-carboxylate Traditional Name: 3-keto-4-[4-[3-[(2S)-2-methylpyrrolidino]propoxy]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H35N3O4 MolecularWeight: 417.5417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1CCCOC2=CC=C(C=C2)N3CCN(CC3=O)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H]1CCCN1CCCOC2=CC=C(C=C2)N3CCN(CC3=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H35N3O4/c1-18-7-5-12-24(18)13-6-16-29-20-10-8-19(9-11-20)26-15-14-25(17-21(26)27)22(28)30-23(2,3)4/h8-11,18H,5-7,12-17H2,1-4H3/t18-/m0/s1