3-[(2-chloranyl-4,4-dimethyl-3-oxidanylidene-hexanoyl)amino]-4-phenoxy-benzoic acid

Systemtic Name: 3-[(2-chloranyl-4,4-dimethyl-3-oxidanylidene-hexanoyl)amino]-4-phenoxy-benzoic acid Openeye Name: 3-[(2-chloro-4,4-dimethyl-3-oxo-hexanoyl)amino]-4-phenoxy-benzoic acid CAS Name: 3-[(2-chloro-4,4-dimethyl-1,3-dioxohexyl)amino]-4-phenoxybenzoic acid IUPAC Name: 3-[(2-chloro-4,4-dimethyl-3-oxohexanoyl)amino]-4-phenoxybenzoic acid Traditional Name: 3-[(2-chloro-3-keto-4,4-dimethyl-hexanoyl)amino]-4-phenoxy-benzoic acid Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO5/c1-4-21(2,3)18(24)17(22)19(25)23-15-12-13(20(26)27)10-11-16(15)28-14-8-6-5-7-9-14/h5-12,17H,4H2,1-3H3,(H,23,25)(H,26,27)