3-methyl-4-(2-phenoxybutanoylamino)benzoic acid

Systemtic Name: 3-methyl-4-(2-phenoxybutanoylamino)benzoic acid Openeye Name: 3-methyl-4-(2-phenoxybutanoylamino)benzoic acid CAS Name: 3-methyl-4-[(1-oxo-2-phenoxybutyl)amino]benzoic acid IUPAC Name: 3-methyl-4-(2-phenoxybutanoylamino)benzoic acid Traditional Name: 3-methyl-4-(2-phenoxybutanoylamino)benzoic acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)C(=O)O)C)OC2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)C(=O)O)C)OC2=CC=CC=C2

InChI

InChI=1S/C18H19NO4/c1-3-16(23-14-7-5-4-6-8-14)17(20)19-15-10-9-13(18(21)22)11-12(15)2/h4-11,16H,3H2,1-2H3,(H,19,20)(H,21,22)