4-methyl-3-(4-methylpentanoylamino)benzoate

Systemtic Name: 4-methyl-3-(4-methylpentanoylamino)benzoate Openeye Name: 4-methyl-3-(4-methylpentanoylamino)benzoate CAS Name: 4-methyl-3-[(4-methyl-1-oxopentyl)amino]benzoate IUPAC Name: 4-methyl-3-(4-methylpentanoylamino)benzoate Traditional Name: 4-methyl-3-(4-methylpentanoylamino)benzoate Formula: C14H18NO3- MolecularWeight: 248.29762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)CCC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)CCC(C)C

InChI

InChI=1S/C14H19NO3/c1-9(2)4-7-13(16)15-12-8-11(14(17)18)6-5-10(12)3/h5-6,8-9H,4,7H2,1-3H3,(H,15,16)(H,17,18)/p-1