2-[4-(4-tert-butylphenoxy)butylamino]-3-chloranyl-benzoic acid

Systemtic Name: 2-[4-(4-tert-butylphenoxy)butylamino]-3-chloranyl-benzoic acid Openeye Name: 2-[4-(4-tert-butylphenoxy)butylamino]-3-chloro-benzoic acid CAS Name: 2-[4-(4-tert-butylphenoxy)butylamino]-3-chlorobenzoic acid IUPAC Name: 2-[4-(4-tert-butylphenoxy)butylamino]-3-chlorobenzoic acid Traditional Name: 2-[4-(4-tert-butylphenoxy)butylamino]-3-chloro-benzoic acid Formula: C21H26ClNO3 MolecularWeight: 375.88904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCCNC2=C(C=CC=C2Cl)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCCNC2=C(C=CC=C2Cl)C(=O)O

InChI

InChI=1S/C21H26ClNO3/c1-21(2,3)15-9-11-16(12-10-15)26-14-5-4-13-23-19-17(20(24)25)7-6-8-18(19)22/h6-12,23H,4-5,13-14H2,1-3H3,(H,24,25)