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

Systemtic Name: 2-[3-[di(propan-2-yl)amino]-1-phenyl-propyl]-4-methyl-phenol; heptanoic acid Openeye Name: 2-[3-(diisopropylamino)-1-phenyl-propyl]-4-methyl-phenol; heptanoic acid CAS Name: 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol; heptanoic acid IUPAC Name: 2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol; heptanoic acid Traditional Name: 2-[3-(diisopropylamino)-1-phenyl-propyl]-4-methyl-phenol; enanthic acid Formula: C29H45NO3 MolecularWeight: 455.6725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO.C7H14O2/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/h6-12,15-17,20,24H,13-14H2,1-5H3;2-6H2,1H3,(H,8,9)