1-[3,5-bis(phenylmethoxy)phenyl]-3,3-dimethyl-8-phenethyloxy-2-[(phenylmethyl)amino]octan-1-one

Systemtic Name: 1-[3,5-bis(phenylmethoxy)phenyl]-3,3-dimethyl-8-phenethyloxy-2-[(phenylmethyl)amino]octan-1-one Openeye Name: 2-(benzylamino)-1-(3,5-dibenzyloxyphenyl)-3,3-dimethyl-8-phenethyloxy-octan-1-one CAS Name: 1-[3,5-bis(phenylmethoxy)phenyl]-3,3-dimethyl-8-phenethyloxy-2-[(phenylmethyl)amino]-1-octanone IUPAC Name: 2-(benzylamino)-1-[3,5-bis(phenylmethoxy)phenyl]-3,3-dimethyl-8-phenethyloxyoctan-1-one Traditional Name: 2-(benzylamino)-1-(3,5-dibenzoxyphenyl)-3,3-dimethyl-8-phenethyloxy-octan-1-one Formula: C45H51NO4 MolecularWeight: 669.89074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCCOCCC1=CC=CC=C1)C(C(=O)C2=CC(=CC(=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)NCC5=CC=CC=C5

Isomeric SMILES

CC(C)(CCCCCOCCC1=CC=CC=C1)C(C(=O)C2=CC(=CC(=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)NCC5=CC=CC=C5

InChI

InChI=1S/C45H51NO4/c1-45(2,27-16-7-17-28-48-29-26-36-18-8-3-9-19-36)44(46-33-37-20-10-4-11-21-37)43(47)40-30-41(49-34-38-22-12-5-13-23-38)32-42(31-40)50-35-39-24-14-6-15-25-39/h3-6,8-15,18-25,30-32,44,46H,7,16-17,26-29,33-35H2,1-2H3