tert-butyl N-[4-[4-(heptanoylamino)phenyl]-2-(hydroxymethyl)-1-oxidanyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[4-(heptanoylamino)phenyl]-2-(hydroxymethyl)-1-oxidanyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[3-[4-(heptanoylamino)phenyl]-1,1-bis(hydroxymethyl)propyl]carbamate CAS Name: N-[1-hydroxy-2-(hydroxymethyl)-4-[4-(1-oxoheptylamino)phenyl]butan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-(heptanoylamino)phenyl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamate Traditional Name: N-[3-[4-(enanthylamino)phenyl]-1,1-dimethylol-propyl]carbamic acid tert-butyl ester Formula: C23H38N2O5 MolecularWeight: 422.55822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=CC=C(C=C1)CCC(CO)(CO)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCC(=O)NC1=CC=C(C=C1)CCC(CO)(CO)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H38N2O5/c1-5-6-7-8-9-20(28)24-19-12-10-18(11-13-19)14-15-23(16-26,17-27)25-21(29)30-22(2,3)4/h10-13,26-27H,5-9,14-17H2,1-4H3,(H,24,28)(H,25,29)