2-methoxy-5-[(2-methylpropanoylamino)methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[(2-methylpropanoylamino)methyl]benzoic acid Openeye Name: 2-methoxy-5-[(2-methylpropanoylamino)methyl]benzoic acid CAS Name: 2-methoxy-5-[[(2-methyl-1-oxopropyl)amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[(2-methylpropanoylamino)methyl]benzoic acid Traditional Name: 5-[(isobutyrylamino)methyl]-2-methoxy-benzoic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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