tert-butyl (2S)-1-[[4-[3-(hydroxymethyl)-2-oxidanyl-naphthalen-1-yl]-3-oxidanyl-naphthalen-2-yl]methyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-[[4-[3-(hydroxymethyl)-2-oxidanyl-naphthalen-1-yl]-3-oxidanyl-naphthalen-2-yl]methyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[[3-hydroxy-4-[2-hydroxy-3-(hydroxymethyl)-1-naphthyl]-2-naphthyl]methyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[3-hydroxy-4-[2-hydroxy-3-(hydroxymethyl)-1-naphthalenyl]-2-naphthalenyl]methyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-[[3-hydroxy-4-[2-hydroxy-3-(hydroxymethyl)naphthalen-1-yl]naphthalen-2-yl]methyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[[3-hydroxy-4-(2-hydroxy-3-methylol-1-naphthyl)-2-naphthyl]methyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C31H33NO5 MolecularWeight: 499.59742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1CC2=CC3=CC=CC=C3C(=C2O)C4=C(C(=CC5=CC=CC=C54)CO)O

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CCCN1CC2=CC3=CC=CC=C3C(=C2O)C4=C(C(=CC5=CC=CC=C54)CO)O

InChI

InChI=1S/C31H33NO5/c1-31(2,3)37-30(36)25-13-8-14-32(25)17-21-15-19-9-4-6-11-23(19)26(28(21)34)27-24-12-7-5-10-20(24)16-22(18-33)29(27)35/h4-7,9-12,15-16,25,33-35H,8,13-14,17-18H2,1-3H3/t25-/m0/s1