4-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]xanthen-9-one

Systemtic Name: 4-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]xanthen-9-one Openeye Name: 4-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]xanthen-9-one CAS Name: 4-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-9-xanthenone IUPAC Name: 4-[[(4-tert-butylphenyl)methyl-methylamino]methyl]xanthen-9-one Traditional Name: 4-[[(4-tert-butylbenzyl)-methyl-amino]methyl]xanthone Formula: C26H27NO2 MolecularWeight: 385.49808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=C2OC4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=C2OC4=CC=CC=C4C3=O

InChI

InChI=1S/C26H27NO2/c1-26(2,3)20-14-12-18(13-15-20)16-27(4)17-19-8-7-10-22-24(28)21-9-5-6-11-23(21)29-25(19)22/h5-15H,16-17H2,1-4H3