3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]carbonyl-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid

Systemtic Name: 3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]carbonyl-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid Openeye Name: 4-(benzyloxycarbonylamino)-3-[3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]piperidine-1-carboxylic acid CAS Name: 3-[[3-[(4-fluorophenyl)methyl]-1-piperidinyl]-oxomethyl]-4-(phenylmethoxycarbonylamino)-1-piperidinecarboxylic acid IUPAC Name: 3-[3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid Traditional Name: 4-(benzyloxycarbonylamino)-3-[3-(4-fluorobenzyl)piperidine-1-carbonyl]piperidine-1-carboxylic acid Formula: C27H32FN3O5 MolecularWeight: 497.558483

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2CN(CCC2NC(=O)OCC3=CC=CC=C3)C(=O)O)CC4=CC=C(C=C4)F

Isomeric SMILES

C1CC(CN(C1)C(=O)C2CN(CCC2NC(=O)OCC3=CC=CC=C3)C(=O)O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C27H32FN3O5/c28-22-10-8-19(9-11-22)15-21-7-4-13-30(16-21)25(32)23-17-31(27(34)35)14-12-24(23)29-26(33)36-18-20-5-2-1-3-6-20/h1-3,5-6,8-11,21,23-24H,4,7,12-18H2,(H,29,33)(H,34,35)