tert-butyl N-[3-(hydroxymethyl)-1-[4-(4-phenylbutoxy)phenyl]pentan-3-yl]carbamate

Systemtic Name: tert-butyl N-[3-(hydroxymethyl)-1-[4-(4-phenylbutoxy)phenyl]pentan-3-yl]carbamate Openeye Name: tert-butyl N-[1-ethyl-1-(hydroxymethyl)-3-[4-(4-phenylbutoxy)phenyl]propyl]carbamate CAS Name: N-[3-(hydroxymethyl)-1-[4-(4-phenylbutoxy)phenyl]pentan-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(hydroxymethyl)-1-[4-(4-phenylbutoxy)phenyl]pentan-3-yl]carbamate Traditional Name: N-[1-ethyl-1-methylol-3-[4-(4-phenylbutoxy)phenyl]propyl]carbamic acid tert-butyl ester Formula: C27H39NO4 MolecularWeight: 441.60286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=CC=C(C=C1)OCCCCC2=CC=CC=C2)(CO)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(CCC1=CC=C(C=C1)OCCCCC2=CC=CC=C2)(CO)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H39NO4/c1-5-27(21-29,28-25(30)32-26(2,3)4)19-18-23-14-16-24(17-15-23)31-20-10-9-13-22-11-7-6-8-12-22/h6-8,11-12,14-17,29H,5,9-10,13,18-21H2,1-4H3,(H,28,30)