methyl 2-methoxy-5-[(3-methylbutanoylamino)methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[(3-methylbutanoylamino)methyl]benzoate Openeye Name: methyl 2-methoxy-5-[(3-methylbutanoylamino)methyl]benzoate CAS Name: 2-methoxy-5-[[(3-methyl-1-oxobutyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[(3-methylbutanoylamino)methyl]benzoate Traditional Name: 5-[(isovalerylamino)methyl]-2-methoxy-benzoic acid methyl ester Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4/c1-10(2)7-14(17)16-9-11-5-6-13(19-3)12(8-11)15(18)20-4/h5-6,8,10H,7,9H2,1-4H3,(H,16,17)