3-[4-[di(propan-2-yl)amino]-1-oxidanyl-2-phenyl-butan-2-yl]benzoic acid

Systemtic Name: 3-[4-[di(propan-2-yl)amino]-1-oxidanyl-2-phenyl-butan-2-yl]benzoic acid Openeye Name: 3-[3-(diisopropylamino)-1-(hydroxymethyl)-1-phenyl-propyl]benzoic acid CAS Name: 3-[4-[di(propan-2-yl)amino]-1-hydroxy-2-phenylbutan-2-yl]benzoic acid IUPAC Name: 3-[4-[di(propan-2-yl)amino]-1-hydroxy-2-phenylbutan-2-yl]benzoic acid Traditional Name: 3-[3-(diisopropylamino)-1-methylol-1-phenyl-propyl]benzoic acid Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO3/c1-17(2)24(18(3)4)14-13-23(16-25,20-10-6-5-7-11-20)21-12-8-9-19(15-21)22(26)27/h5-12,15,17-18,25H,13-14,16H2,1-4H3,(H,26,27)