1-[4-[3-azanyl-3-(hydroxymethyl)-4-oxidanyl-butyl]phenyl]octan-1-one

Systemtic Name: 1-[4-[3-azanyl-3-(hydroxymethyl)-4-oxidanyl-butyl]phenyl]octan-1-one Openeye Name: 1-[4-[3-amino-4-hydroxy-3-(hydroxymethyl)butyl]phenyl]octan-1-one CAS Name: 1-[4-[3-amino-4-hydroxy-3-(hydroxymethyl)butyl]phenyl]-1-octanone IUPAC Name: 1-[4-[3-amino-4-hydroxy-3-(hydroxymethyl)butyl]phenyl]octan-1-one Traditional Name: 1-[4-(3-amino-4-hydroxy-3-methylol-butyl)phenyl]octan-1-one Formula: C19H31NO3 MolecularWeight: 321.45434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=CC=C(C=C1)CCC(CO)(CO)N

Isomeric SMILES

CCCCCCCC(=O)C1=CC=C(C=C1)CCC(CO)(CO)N

InChI

InChI=1S/C19H31NO3/c1-2-3-4-5-6-7-18(23)17-10-8-16(9-11-17)12-13-19(20,14-21)15-22/h8-11,21-22H,2-7,12-15,20H2,1H3