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methyl 5-[(2-methylpropanoylamino)methyl]-2-oxidanyl-benzoate

methyl 5-[(2-methylpropanoylamino)methyl]-2-oxidanyl-benzoate

Systemtic Name:methyl 5-[(2-methylpropanoylamino)methyl]-2-oxidanyl-benzoate
Openeye Name:methyl 2-hydroxy-5-[(2-methylpropanoylamino)methyl]benzoate
CAS Name:2-hydroxy-5-[[(2-methyl-1-oxopropyl)amino]methyl]benzoic acid methyl ester
IUPAC Name:methyl 2-hydroxy-5-[(2-methylpropanoylamino)methyl]benzoate
Traditional Name:2-hydroxy-5-[(isobutyrylamino)methyl]benzoic acid methyl ester
Formula: C13H17NO4
MolecularWeight: 251.27838
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCC1=CC(=C(C=C1)O)C(=O)OC


Isomeric SMILES

CC(C)C(=O)NCC1=CC(=C(C=C1)O)C(=O)OC


InChI

InChI=1S/C13H17NO4/c1-8(2)12(16)14-7-9-4-5-11(15)10(6-9)13(17)18-3/h4-6,8,15H,7H2,1-3H3,(H,14,16)


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