decanoic acid; 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenyl-propyl]-4-methyl-phenol

Systemtic Name: decanoic acid; 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenyl-propyl]-4-methyl-phenol Openeye Name: decanoic acid; 2-[(1R)-3-(diisopropylamino)-1-phenyl-propyl]-4-methyl-phenol CAS Name: decanoic acid; 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol IUPAC Name: decanoic acid; 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol Traditional Name: capric acid; 2-[(1R)-3-(diisopropylamino)-1-phenyl-propyl]-4-methyl-phenol Formula: C32H51NO3 MolecularWeight: 497.75224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)O.CC1=CC(=C(C=C1)O)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCC(=O)O.CC1=CC(=C(C=C1)O)[C@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2

InChI

InChI=1S/C22H31NO.C10H20O2/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24;1-2-3-4-5-6-7-8-9-10(11)12/h6-12,15-17,20,24H,13-14H2,1-5H3;2-9H2,1H3,(H,11,12)/t20-;/m1./s1