4-[[2-azanyl-6-(1-oxidanylbutyl)phenyl]methyl]-2-propan-2-yl-benzoate

Systemtic Name: 4-[[2-azanyl-6-(1-oxidanylbutyl)phenyl]methyl]-2-propan-2-yl-benzoate Openeye Name: 4-[[2-amino-6-(1-hydroxybutyl)phenyl]methyl]-2-isopropyl-benzoate CAS Name: 4-[[2-amino-6-(1-hydroxybutyl)phenyl]methyl]-2-propan-2-ylbenzoate IUPAC Name: 4-[[2-amino-6-(1-hydroxybutyl)phenyl]methyl]-2-propan-2-ylbenzoate Traditional Name: 4-[2-amino-6-(1-hydroxybutyl)benzyl]-2-isopropyl-benzoate Formula: C21H26NO3- MolecularWeight: 340.43604

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C(=CC=C1)N)CC2=CC(=C(C=C2)C(=O)[O-])C(C)C)O

Isomeric SMILES

CCCC(C1=C(C(=CC=C1)N)CC2=CC(=C(C=C2)C(=O)[O-])C(C)C)O

InChI

InChI=1S/C21H27NO3/c1-4-6-20(23)15-7-5-8-19(22)18(15)12-14-9-10-16(21(24)25)17(11-14)13(2)3/h5,7-11,13,20,23H,4,6,12,22H2,1-3H3,(H,24,25)/p-1