1-[(4-fluorophenyl)methyl]-1-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]piperidin-4-yl]-3-[(4-propan-2-yloxyphenyl)methyl]urea

Systemtic Name: 1-[(4-fluorophenyl)methyl]-1-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]piperidin-4-yl]-3-[(4-propan-2-yloxyphenyl)methyl]urea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[(4-isopropoxyphenyl)methyl]-1-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]-4-piperidyl]urea CAS Name: 1-[(4-fluorophenyl)methyl]-1-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]-4-piperidinyl]-3-[(4-propan-2-yloxyphenyl)methyl]urea IUPAC Name: 1-[(4-fluorophenyl)methyl]-1-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]piperidin-4-yl]-3-[(4-propan-2-yloxyphenyl)methyl]urea Traditional Name: 1-(4-fluorobenzyl)-3-(4-isopropoxybenzyl)-1-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]-4-piperidyl]urea Formula: C29H40FN3O4 MolecularWeight: 513.644003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1COC(O1)CCN2CCC(CC2)N(CC3=CC=C(C=C3)F)C(=O)NCC4=CC=C(C=C4)OC(C)C

Isomeric SMILES

C[C@H]1COC(O1)CCN2CCC(CC2)N(CC3=CC=C(C=C3)F)C(=O)NCC4=CC=C(C=C4)OC(C)C

InChI

InChI=1S/C29H40FN3O4/c1-21(2)36-27-10-6-23(7-11-27)18-31-29(34)33(19-24-4-8-25(30)9-5-24)26-12-15-32(16-13-26)17-14-28-35-20-22(3)37-28/h4-11,21-22,26,28H,12-20H2,1-3H3,(H,31,34)/t22-,28?/m0/s1