5-[[4-(4-chloranyl-3-methyl-phenoxy)butanoylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[4-(4-chloranyl-3-methyl-phenoxy)butanoylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[4-(4-chloro-3-methyl-phenoxy)butanoylamino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[4-(4-chloro-3-methylphenoxy)-1-oxobutyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[4-(4-chloro-3-methylphenoxy)butanoylamino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[4-(4-chloro-3-methyl-phenoxy)butanoylamino]methyl]-2-methoxy-benzoic acid Formula: C20H22ClNO5 MolecularWeight: 391.84538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)Cl

InChI

InChI=1S/C20H22ClNO5/c1-13-10-15(6-7-17(13)21)27-9-3-4-19(23)22-12-14-5-8-18(26-2)16(11-14)20(24)25/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,22,23)(H,24,25)