[1-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]-3-phenoxy-propan-2-yl] azepane-1-carboxylate

Systemtic Name: [1-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]-3-phenoxy-propan-2-yl] azepane-1-carboxylate Openeye Name: [1-[[4-(4-fluorobenzoyl)-1-piperidyl]methyl]-2-phenoxy-ethyl] azepane-1-carboxylate CAS Name: 1-azepanecarboxylic acid [1-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]-3-phenoxypropan-2-yl] ester IUPAC Name: [1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenoxypropan-2-yl] azepane-1-carboxylate Traditional Name: azepane-1-carboxylic acid [1-[[4-(4-fluorobenzoyl)piperidino]methyl]-2-phenoxy-ethyl] ester Formula: C28H35FN2O4 MolecularWeight: 482.586903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)OC(CN2CCC(CC2)C(=O)C3=CC=C(C=C3)F)COC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)OC(CN2CCC(CC2)C(=O)C3=CC=C(C=C3)F)COC4=CC=CC=C4

InChI

InChI=1S/C28H35FN2O4/c29-24-12-10-22(11-13-24)27(32)23-14-18-30(19-15-23)20-26(21-34-25-8-4-3-5-9-25)35-28(33)31-16-6-1-2-7-17-31/h3-5,8-13,23,26H,1-2,6-7,14-21H2