4-[(4-methylpentanoylamino)methyl]benzoate

Systemtic Name: 4-[(4-methylpentanoylamino)methyl]benzoate Openeye Name: 4-[(4-methylpentanoylamino)methyl]benzoate CAS Name: 4-[[(4-methyl-1-oxopentyl)amino]methyl]benzoate IUPAC Name: 4-[(4-methylpentanoylamino)methyl]benzoate Traditional Name: 4-[(4-methylpentanoylamino)methyl]benzoate Formula: C14H18NO3- MolecularWeight: 248.29762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NCC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC(C)CCC(=O)NCC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C14H19NO3/c1-10(2)3-8-13(16)15-9-11-4-6-12(7-5-11)14(17)18/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)(H,17,18)/p-1