3-[(1R)-3-[di(propan-2-yl)azaniumyl]-1-phenyl-propyl]-4-oxidanyl-benzoate

Systemtic Name: 3-[(1R)-3-[di(propan-2-yl)azaniumyl]-1-phenyl-propyl]-4-oxidanyl-benzoate Openeye Name: 3-[(1R)-3-(diisopropylammonio)-1-phenyl-propyl]-4-hydroxy-benzoate CAS Name: 3-[(1R)-3-[di(propan-2-yl)ammonio]-1-phenylpropyl]-4-hydroxybenzoate IUPAC Name: 3-[(1R)-3-[di(propan-2-yl)azaniumyl]-1-phenylpropyl]-4-hydroxybenzoate Traditional Name: 3-[(1R)-3-(diisopropylammonio)-1-phenyl-propyl]-4-hydroxy-benzoate Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)C(=O)[O-])O)C(C)C

Isomeric SMILES

CC(C)[NH+](CC[C@H](C1=CC=CC=C1)C2=C(C=CC(=C2)C(=O)[O-])O)C(C)C

InChI

InChI=1S/C22H29NO3/c1-15(2)23(16(3)4)13-12-19(17-8-6-5-7-9-17)20-14-18(22(25)26)10-11-21(20)24/h5-11,14-16,19,24H,12-13H2,1-4H3,(H,25,26)/t19-/m1/s1