methyl N-[(1R,2S)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate

Systemtic Name: methyl N-[(1R,2S)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate Openeye Name: methyl N-[(1R,2S)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate CAS Name: N-[(1R,2S)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]carbamic acid methyl ester IUPAC Name: methyl N-[(1R,2S)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate Traditional Name: N-[(1R,2S)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazino]butyl]carbamic acid methyl ester Formula: C29H40FN3O3 MolecularWeight: 497.644603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC=CC=C3F)C(C4CCCCC4)NC(=O)OC

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CC[C@@H](C3=CC=CC=C3F)[C@@H](C4CCCCC4)NC(=O)OC

InChI

InChI=1S/C29H40FN3O3/c1-35-27-15-9-8-14-26(27)33-20-18-32(19-21-33)17-16-24(23-12-6-7-13-25(23)30)28(31-29(34)36-2)22-10-4-3-5-11-22/h6-9,12-15,22,24,28H,3-5,10-11,16-21H2,1-2H3,(H,31,34)/t24-,28+/m0/s1