9H-fluoren-9-ylmethyl N-[(2S)-1-oxidanyl-4-pyren-1-yl-butan-2-yl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[(2S)-1-oxidanyl-4-pyren-1-yl-butan-2-yl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[(1S)-1-(hydroxymethyl)-3-pyren-1-yl-propyl]carbamate CAS Name: N-[(2S)-1-hydroxy-4-(1-pyrenyl)butan-2-yl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-4-pyren-1-ylbutan-2-yl]carbamate Traditional Name: N-[(1S)-1-methylol-3-pyren-1-yl-propyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C35H29NO3 MolecularWeight: 511.60966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCC4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)CO

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCC4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)CO

InChI

InChI=1S/C35H29NO3/c37-20-26(36-35(38)39-21-32-30-10-3-1-8-28(30)29-9-2-4-11-31(29)32)18-16-22-12-13-25-15-14-23-6-5-7-24-17-19-27(22)34(25)33(23)24/h1-15,17,19,26,32,37H,16,18,20-21H2,(H,36,38)/t26-/m0/s1