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

Systemtic Name: 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenyl-propyl]-4-methyl-phenol; hexanedioic acid Openeye Name: adipic acid; 2-[(1R)-3-(diisopropylamino)-1-phenyl-propyl]-4-methyl-phenol CAS Name: 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol; hexanedioic acid IUPAC Name: 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol; hexanedioic acid Traditional Name: adipic acid; 2-[(1R)-3-(diisopropylamino)-1-phenyl-propyl]-4-methyl-phenol Formula: C28H41NO5 MolecularWeight: 471.62884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO.C6H10O4/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;7-5(8)3-1-2-4-6(9)10/h6-12,15-17,20,24H,13-14H2,1-5H3;1-4H2,(H,7,8)(H,9,10)/t20-;/m1./s1