2-[3-(4-ethylphenyl)propanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[3-(4-ethylphenyl)propanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[3-(4-ethylphenyl)propanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[3-(4-ethylphenyl)-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[3-(4-ethylphenyl)propanoylamino]-3-methylbutanoic acid Traditional Name: 2-[3-(4-ethylphenyl)propanoylamino]-3-methyl-butyric acid Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C16H23NO3/c1-4-12-5-7-13(8-6-12)9-10-14(18)17-15(11(2)3)16(19)20/h5-8,11,15H,4,9-10H2,1-3H3,(H,17,18)(H,19,20)