4-(pentan-3-ylcarbamoyl)benzoic acid

Systemtic Name: 4-(pentan-3-ylcarbamoyl)benzoic acid Openeye Name: 4-(1-ethylpropylcarbamoyl)benzoic acid CAS Name: 4-[oxo-(pentan-3-ylamino)methyl]benzoic acid IUPAC Name: 4-(pentan-3-ylcarbamoyl)benzoic acid Traditional Name: 4-(1-ethylpropylcarbamoyl)benzoic acid Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c1-3-11(4-2)14-12(15)9-5-7-10(8-6-9)13(16)17/h5-8,11H,3-4H2,1-2H3,(H,14,15)(H,16,17)