(phenylmethyl) (3S)-4-[(R)-(3-fluorophenyl)-piperidin-4-yl-methyl]-3-methyl-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) (3S)-4-[(R)-(3-fluorophenyl)-piperidin-4-yl-methyl]-3-methyl-piperazine-1-carboxylate Openeye Name: benzyl (3S)-4-[(R)-(3-fluorophenyl)-(4-piperidyl)methyl]-3-methyl-piperazine-1-carboxylate CAS Name: (3S)-4-[(R)-(3-fluorophenyl)-(4-piperidinyl)methyl]-3-methyl-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-4-[(R)-(3-fluorophenyl)-piperidin-4-ylmethyl]-3-methylpiperazine-1-carboxylate Traditional Name: (3S)-4-[(R)-(3-fluorophenyl)-(4-piperidyl)methyl]-3-methyl-piperazine-1-carboxylic acid benzyl ester Formula: C25H32FN3O2 MolecularWeight: 425.538883

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(C2CCNCC2)C3=CC(=CC=C3)F)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CN(CCN1[C@H](C2CCNCC2)C3=CC(=CC=C3)F)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H32FN3O2/c1-19-17-28(25(30)31-18-20-6-3-2-4-7-20)14-15-29(19)24(21-10-12-27-13-11-21)22-8-5-9-23(26)16-22/h2-9,16,19,21,24,27H,10-15,17-18H2,1H3/t19-,24+/m0/s1