butane-2,3-dione; 3-methyl-4-[(1R)-3-(methylamino)-1-phenyl-propoxy]phenol

Systemtic Name: butane-2,3-dione; 3-methyl-4-[(1R)-3-(methylamino)-1-phenyl-propoxy]phenol Openeye Name: butane-2,3-dione; 3-methyl-4-[(1R)-3-(methylamino)-1-phenyl-propoxy]phenol CAS Name: butane-2,3-dione; 3-methyl-4-[(1R)-3-(methylamino)-1-phenylpropoxy]phenol IUPAC Name: butane-2,3-dione; 3-methyl-4-[(1R)-3-(methylamino)-1-phenylpropoxy]phenol Traditional Name: biacetyl; 3-methyl-4-[(1R)-3-(methylamino)-1-phenyl-propoxy]phenol Formula: C21H27NO4 MolecularWeight: 359.435922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)OC(CCNC)C2=CC=CC=C2.CC(=O)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)O)O[14C@H](CCNC)C2=CC=CC=C2.CC(=O)C(=O)C

InChI

InChI=1S/C17H21NO2.C4H6O2/c1-13-12-15(19)8-9-16(13)20-17(10-11-18-2)14-6-4-3-5-7-14;1-3(5)4(2)6/h3-9,12,17-19H,10-11H2,1-2H3;1-2H3/t17-;/m1./s1/i17+2;