3-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]xanthen-9-one

Systemtic Name: 3-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]xanthen-9-one Openeye Name: 3-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]xanthen-9-one CAS Name: 3-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-9-xanthenone IUPAC Name: 3-[[(4-tert-butylphenyl)methyl-methylamino]methyl]xanthen-9-one Traditional Name: 3-[[(4-tert-butylbenzyl)-methyl-amino]methyl]xanthone Formula: C26H27NO2 MolecularWeight: 385.49808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4O3

InChI

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