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

Systemtic Name: 2-[(4-butylphenyl)carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[(4-butylbenzoyl)amino]-4-methyl-pentanoic acid CAS Name: 2-[[(4-butylphenyl)-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[(4-butylbenzoyl)amino]-4-methylpentanoic acid Traditional Name: 2-[(4-butylbenzoyl)amino]-4-methyl-valeric acid Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C17H25NO3/c1-4-5-6-13-7-9-14(10-8-13)16(19)18-15(17(20)21)11-12(2)3/h7-10,12,15H,4-6,11H2,1-3H3,(H,18,19)(H,20,21)