3-[3-methylbutanoyl-(2-methylphenyl)amino]propanoate

Systemtic Name: 3-[3-methylbutanoyl-(2-methylphenyl)amino]propanoate Openeye Name: 3-[2-methyl-N-(3-methylbutanoyl)anilino]propanoate CAS Name: 3-(2-methyl-N-(3-methyl-1-oxobutyl)anilino)propanoate IUPAC Name: 3-[2-methyl-N-(3-methylbutanoyl)anilino]propanoate Traditional Name: 3-(N-isovaleryl-2-methyl-anilino)propionate Formula: C15H20NO3- MolecularWeight: 262.3242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CCC(=O)[O-])C(=O)CC(C)C

Isomeric SMILES

CC1=CC=CC=C1N(CCC(=O)[O-])C(=O)CC(C)C

InChI

InChI=1S/C15H21NO3/c1-11(2)10-14(17)16(9-8-15(18)19)13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3,(H,18,19)/p-1