1-[4-[7-[(3-hydroxyphenyl)methyl-methyl-amino]heptoxy]-2-oxidanyl-phenyl]ethanone

Systemtic Name: 1-[4-[7-[(3-hydroxyphenyl)methyl-methyl-amino]heptoxy]-2-oxidanyl-phenyl]ethanone Openeye Name: 1-[2-hydroxy-4-[7-[(3-hydroxyphenyl)methyl-methyl-amino]heptoxy]phenyl]ethanone CAS Name: 1-[2-hydroxy-4-[7-[(3-hydroxyphenyl)methyl-methylamino]heptoxy]phenyl]ethanone IUPAC Name: 1-[2-hydroxy-4-[7-[(3-hydroxyphenyl)methyl-methylamino]heptoxy]phenyl]ethanone Traditional Name: 1-[2-hydroxy-4-[7-[(3-hydroxybenzyl)-methyl-amino]heptoxy]phenyl]ethanone Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OCCCCCCCN(C)CC2=CC(=CC=C2)O)O

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)OCCCCCCCN(C)CC2=CC(=CC=C2)O)O

InChI

InChI=1S/C23H31NO4/c1-18(25)22-12-11-21(16-23(22)27)28-14-7-5-3-4-6-13-24(2)17-19-9-8-10-20(26)15-19/h8-12,15-16,26-27H,3-7,13-14,17H2,1-2H3