[2,4-dimethyl-6-[2-oxidanyl-3-(phenethylamino)propoxy]phenyl]-(4-methylphenyl)methanone

Systemtic Name: [2,4-dimethyl-6-[2-oxidanyl-3-(phenethylamino)propoxy]phenyl]-(4-methylphenyl)methanone Openeye Name: [2-[2-hydroxy-3-(phenethylamino)propoxy]-4,6-dimethyl-phenyl]-(p-tolyl)methanone CAS Name: [2-[2-hydroxy-3-(phenethylamino)propoxy]-4,6-dimethylphenyl]-(4-methylphenyl)methanone IUPAC Name: [2-[2-hydroxy-3-(phenethylamino)propoxy]-4,6-dimethylphenyl]-(4-methylphenyl)methanone Traditional Name: [2-[2-hydroxy-3-(phenethylamino)propoxy]-4,6-dimethyl-phenyl]-(p-tolyl)methanone Formula: C27H31NO3 MolecularWeight: 417.53994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2OCC(CNCCC3=CC=CC=C3)O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2OCC(CNCCC3=CC=CC=C3)O)C)C

InChI

InChI=1S/C27H31NO3/c1-19-9-11-23(12-10-19)27(30)26-21(3)15-20(2)16-25(26)31-18-24(29)17-28-14-13-22-7-5-4-6-8-22/h4-12,15-16,24,28-29H,13-14,17-18H2,1-3H3