2-[(4-butylphenyl)carbonylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[(4-butylphenyl)carbonylamino]-3-methyl-pentanoic acid Openeye Name: 2-[(4-butylbenzoyl)amino]-3-methyl-pentanoic acid CAS Name: 2-[[(4-butylphenyl)-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[(4-butylbenzoyl)amino]-3-methylpentanoic acid Traditional Name: 2-[(4-butylbenzoyl)amino]-3-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(C(C)CC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3/c1-4-6-7-13-8-10-14(11-9-13)16(19)18-15(17(20)21)12(3)5-2/h8-12,15H,4-7H2,1-3H3,(H,18,19)(H,20,21)