4-[bis(2-oxidanylpropyl)amino]-2-ethyl-benzoate

Systemtic Name: 4-[bis(2-oxidanylpropyl)amino]-2-ethyl-benzoate Openeye Name: 4-[bis(2-hydroxypropyl)amino]-2-ethyl-benzoate CAS Name: 4-[bis(2-hydroxypropyl)amino]-2-ethylbenzoate IUPAC Name: 4-[bis(2-hydroxypropyl)amino]-2-ethylbenzoate Traditional Name: 4-[bis(2-hydroxypropyl)amino]-2-ethyl-benzoate Formula: C15H22NO4- MolecularWeight: 280.33948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)N(CC(C)O)CC(C)O)C(=O)[O-]

Isomeric SMILES

CCC1=C(C=CC(=C1)N(CC(C)O)CC(C)O)C(=O)[O-]

InChI

InChI=1S/C15H23NO4/c1-4-12-7-13(5-6-14(12)15(19)20)16(8-10(2)17)9-11(3)18/h5-7,10-11,17-18H,4,8-9H2,1-3H3,(H,19,20)/p-1