phenylmethoxycarbonylamino 1-[1-(1H-imidazol-5-yl)pent-4-enyl]-5-(triphenylmethyl)piperidine-2-carboxylate

Systemtic Name: phenylmethoxycarbonylamino 1-[1-(1H-imidazol-5-yl)pent-4-enyl]-5-(triphenylmethyl)piperidine-2-carboxylate Openeye Name: benzyloxycarbonylamino 1-[1-(1H-imidazol-5-yl)pent-4-enyl]-5-trityl-piperidine-2-carboxylate CAS Name: 1-[1-(1H-imidazol-5-yl)pent-4-enyl]-5-(triphenylmethyl)-2-piperidinecarboxylic acid phenylmethoxycarbonylamino ester IUPAC Name: phenylmethoxycarbonylamino 1-[1-(1H-imidazol-5-yl)pent-4-enyl]-5-tritylpiperidine-2-carboxylate Traditional Name: 1-[1-(1H-imidazol-5-yl)pent-4-enyl]-5-trityl-pipecolinic acid benzyloxycarbonylamino ester Formula: C41H42N4O4 MolecularWeight: 654.79658

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(C1=CN=CN1)N2CC(CCC2C(=O)ONC(=O)OCC3=CC=CC=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C=CCCC(C1=CN=CN1)N2CC(CCC2C(=O)ONC(=O)OCC3=CC=CC=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C41H42N4O4/c1-2-3-24-37(36-27-42-30-43-36)45-28-35(25-26-38(45)39(46)49-44-40(47)48-29-31-16-8-4-9-17-31)41(32-18-10-5-11-19-32,33-20-12-6-13-21-33)34-22-14-7-15-23-34/h2,4-23,27,30,35,37-38H,1,3,24-26,28-29H2,(H,42,43)(H,44,47)