2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethyl N-[(4-fluorophenyl)methyl]carbamate

Systemtic Name: 2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethyl N-[(4-fluorophenyl)methyl]carbamate Openeye Name: 2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethyl N-[(4-fluorophenyl)methyl]carbamate CAS Name: N-[(4-fluorophenyl)methyl]carbamic acid 2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethyl N-[(4-fluorophenyl)methyl]carbamate Traditional Name: N-(4-fluorobenzyl)carbamic acid 2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazino]ethyl ester Formula: C23H28FN3O5 MolecularWeight: 445.483923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)CN3CCN(CC3)CCOC(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)CN3CCN(CC3)CCOC(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C23H28FN3O5/c1-29-20-12-18(13-21-22(20)32-16-31-21)15-27-8-6-26(7-9-27)10-11-30-23(28)25-14-17-2-4-19(24)5-3-17/h2-5,12-13H,6-11,14-16H2,1H3,(H,25,28)