2-[(4-ethylphenyl)carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[(4-ethylphenyl)carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[(4-ethylbenzoyl)amino]-4-methyl-pentanoic acid CAS Name: 2-[[(4-ethylphenyl)-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[(4-ethylbenzoyl)amino]-4-methylpentanoic acid Traditional Name: 2-[(4-ethylbenzoyl)amino]-4-methyl-valeric acid Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3/c1-4-11-5-7-12(8-6-11)14(17)16-13(15(18)19)9-10(2)3/h5-8,10,13H,4,9H2,1-3H3,(H,16,17)(H,18,19)