3-[4-(2,5-dimethylphenoxy)butanoylamino]benzoate

Systemtic Name: 3-[4-(2,5-dimethylphenoxy)butanoylamino]benzoate Openeye Name: 3-[4-(2,5-dimethylphenoxy)butanoylamino]benzoate CAS Name: 3-[[4-(2,5-dimethylphenoxy)-1-oxobutyl]amino]benzoate IUPAC Name: 3-[4-(2,5-dimethylphenoxy)butanoylamino]benzoate Traditional Name: 3-[4-(2,5-dimethylphenoxy)butanoylamino]benzoate Formula: C19H20NO4- MolecularWeight: 326.3664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCCC(=O)NC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCCC(=O)NC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C19H21NO4/c1-13-8-9-14(2)17(11-13)24-10-4-7-18(21)20-16-6-3-5-15(12-16)19(22)23/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,21)(H,22,23)/p-1