tert-butyl (3S)-3-naphthalen-2-yl-3-oxidanyl-3-[1-(triphenylmethyl)imidazol-4-yl]propanoate

Systemtic Name: tert-butyl (3S)-3-naphthalen-2-yl-3-oxidanyl-3-[1-(triphenylmethyl)imidazol-4-yl]propanoate Openeye Name: tert-butyl (3S)-3-hydroxy-3-(2-naphthyl)-3-(1-tritylimidazol-4-yl)propanoate CAS Name: (3S)-3-hydroxy-3-(2-naphthalenyl)-3-[1-(triphenylmethyl)-4-imidazolyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-hydroxy-3-naphthalen-2-yl-3-(1-tritylimidazol-4-yl)propanoate Traditional Name: (3S)-3-hydroxy-3-(2-naphthyl)-3-(1-tritylimidazol-4-yl)propionic acid tert-butyl ester Formula: C39H36N2O3 MolecularWeight: 580.71474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C1=CC2=CC=CC=C2C=C1)(C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O

Isomeric SMILES

CC(C)(C)OC(=O)C[C@](C1=CC2=CC=CC=C2C=C1)(C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O

InChI

InChI=1S/C39H36N2O3/c1-37(2,3)44-36(42)26-38(43,34-24-23-29-15-13-14-16-30(29)25-34)35-27-41(28-40-35)39(31-17-7-4-8-18-31,32-19-9-5-10-20-32)33-21-11-6-12-22-33/h4-25,27-28,43H,26H2,1-3H3/t38-/m0/s1