hexyl 4-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]benzoate

Systemtic Name: hexyl 4-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]benzoate Openeye Name: hexyl 4-[4-(4-chloro-3,5-dimethyl-phenoxy)butanoylamino]benzoate CAS Name: 4-[[4-(4-chloro-3,5-dimethylphenoxy)-1-oxobutyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]benzoate Traditional Name: 4-[4-(4-chloro-3,5-dimethyl-phenoxy)butanoylamino]benzoic acid hexyl ester Formula: C25H32ClNO4 MolecularWeight: 445.97888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCCOC2=CC(=C(C(=C2)C)Cl)C

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCCOC2=CC(=C(C(=C2)C)Cl)C

InChI

InChI=1S/C25H32ClNO4/c1-4-5-6-7-14-31-25(29)20-10-12-21(13-11-20)27-23(28)9-8-15-30-22-16-18(2)24(26)19(3)17-22/h10-13,16-17H,4-9,14-15H2,1-3H3,(H,27,28)