propan-2-yl 4-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]benzoate Openeye Name: isopropyl 4-[4-(4-chloro-3,5-dimethyl-phenoxy)butanoylamino]benzoate CAS Name: 4-[[4-(4-chloro-3,5-dimethylphenoxy)-1-oxobutyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]benzoate Traditional Name: 4-[4-(4-chloro-3,5-dimethyl-phenoxy)butanoylamino]benzoic acid isopropyl ester Formula: C22H26ClNO4 MolecularWeight: 403.89914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCCCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

InChI

InChI=1S/C22H26ClNO4/c1-14(2)28-22(26)17-7-9-18(10-8-17)24-20(25)6-5-11-27-19-12-15(3)21(23)16(4)13-19/h7-10,12-14H,5-6,11H2,1-4H3,(H,24,25)