3-[[2-methyl-4-[3-(3-methyl-4-oxidanyl-phenyl)pentan-3-yl]phenyl]amino]propane-1,2-diol

Systemtic Name: 3-[[2-methyl-4-[3-(3-methyl-4-oxidanyl-phenyl)pentan-3-yl]phenyl]amino]propane-1,2-diol Openeye Name: 3-[4-[1-ethyl-1-(4-hydroxy-3-methyl-phenyl)propyl]-2-methyl-anilino]propane-1,2-diol CAS Name: 3-[4-[3-(4-hydroxy-3-methylphenyl)pentan-3-yl]-2-methylanilino]propane-1,2-diol IUPAC Name: 3-[4-[3-(4-hydroxy-3-methylphenyl)pentan-3-yl]-2-methylanilino]propane-1,2-diol Traditional Name: 3-[4-[1-ethyl-1-(4-hydroxy-3-methyl-phenyl)propyl]-2-methyl-anilino]propane-1,2-diol Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)NCC(CO)O)C)C2=CC(=C(C=C2)O)C

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)NCC(CO)O)C)C2=CC(=C(C=C2)O)C

InChI

InChI=1S/C22H31NO3/c1-5-22(6-2,18-8-10-21(26)16(4)12-18)17-7-9-20(15(3)11-17)23-13-19(25)14-24/h7-12,19,23-26H,5-6,13-14H2,1-4H3