5-chloranyl-2-methoxy-4-(2-methylpentanoylamino)benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-4-(2-methylpentanoylamino)benzoic acid Openeye Name: 5-chloro-2-methoxy-4-(2-methylpentanoylamino)benzoic acid CAS Name: 5-chloro-2-methoxy-4-[(2-methyl-1-oxopentyl)amino]benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-(2-methylpentanoylamino)benzoic acid Traditional Name: 5-chloro-2-methoxy-4-(2-methylpentanoylamino)benzoic acid Formula: C14H18ClNO4 MolecularWeight: 299.75002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)NC1=C(C=C(C(=C1)OC)C(=O)O)Cl

Isomeric SMILES

CCCC(C)C(=O)NC1=C(C=C(C(=C1)OC)C(=O)O)Cl

InChI

InChI=1S/C14H18ClNO4/c1-4-5-8(2)13(17)16-11-7-12(20-3)9(14(18)19)6-10(11)15/h6-8H,4-5H2,1-3H3,(H,16,17)(H,18,19)