4-[4-[3-[(diphenylmethyl)-methyl-amino]-2-oxidanyl-propoxy]phenyl]butan-2-one

Systemtic Name: 4-[4-[3-[(diphenylmethyl)-methyl-amino]-2-oxidanyl-propoxy]phenyl]butan-2-one Openeye Name: 4-[4-[3-[benzhydryl(methyl)amino]-2-hydroxy-propoxy]phenyl]butan-2-one CAS Name: 4-[4-[3-[(diphenylmethyl)-methylamino]-2-hydroxypropoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[3-[benzhydryl(methyl)amino]-2-hydroxypropoxy]phenyl]butan-2-one Traditional Name: 4-[4-[3-[benzhydryl(methyl)amino]-2-hydroxy-propoxy]phenyl]butan-2-one Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCC(CN(C)C(C2=CC=CC=C2)C3=CC=CC=C3)O

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCC(CN(C)C(C2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C27H31NO3/c1-21(29)13-14-22-15-17-26(18-16-22)31-20-25(30)19-28(2)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,15-18,25,27,30H,13-14,19-20H2,1-2H3