3-[[2-azanyl-6-(1-oxidanylhexyl)phenyl]methyl]-2-methyl-benzoate

Systemtic Name: 3-[[2-azanyl-6-(1-oxidanylhexyl)phenyl]methyl]-2-methyl-benzoate Openeye Name: 3-[[2-amino-6-(1-hydroxyhexyl)phenyl]methyl]-2-methyl-benzoate CAS Name: 3-[[2-amino-6-(1-hydroxyhexyl)phenyl]methyl]-2-methylbenzoate IUPAC Name: 3-[[2-amino-6-(1-hydroxyhexyl)phenyl]methyl]-2-methylbenzoate Traditional Name: 3-[2-amino-6-(1-hydroxyhexyl)benzyl]-2-methyl-benzoate Formula: C21H26NO3- MolecularWeight: 340.43604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=C(C(=CC=C1)N)CC2=CC=CC(=C2C)C(=O)[O-])O

Isomeric SMILES

CCCCCC(C1=C(C(=CC=C1)N)CC2=CC=CC(=C2C)C(=O)[O-])O

InChI

InChI=1S/C21H27NO3/c1-3-4-5-12-20(23)17-10-7-11-19(22)18(17)13-15-8-6-9-16(14(15)2)21(24)25/h6-11,20,23H,3-5,12-13,22H2,1-2H3,(H,24,25)/p-1