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

Systemtic Name: 2-[3-(4-ethylphenyl)propanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[3-(4-ethylphenyl)propanoylamino]-4-methyl-pentanoic acid CAS Name: 2-[[3-(4-ethylphenyl)-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[3-(4-ethylphenyl)propanoylamino]-4-methylpentanoic acid Traditional Name: 2-[3-(4-ethylphenyl)propanoylamino]-4-methyl-valeric acid Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3/c1-4-13-5-7-14(8-6-13)9-10-16(19)18-15(17(20)21)11-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3,(H,18,19)(H,20,21)