2-[4-(4-tert-butylphenoxy)butylamino]-5-methyl-benzoic acid

Systemtic Name: 2-[4-(4-tert-butylphenoxy)butylamino]-5-methyl-benzoic acid Openeye Name: 2-[4-(4-tert-butylphenoxy)butylamino]-5-methyl-benzoic acid CAS Name: 2-[4-(4-tert-butylphenoxy)butylamino]-5-methylbenzoic acid IUPAC Name: 2-[4-(4-tert-butylphenoxy)butylamino]-5-methylbenzoic acid Traditional Name: 2-[4-(4-tert-butylphenoxy)butylamino]-5-methyl-benzoic acid Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCCCCOC2=CC=C(C=C2)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NCCCCOC2=CC=C(C=C2)C(C)(C)C)C(=O)O

InChI

InChI=1S/C22H29NO3/c1-16-7-12-20(19(15-16)21(24)25)23-13-5-6-14-26-18-10-8-17(9-11-18)22(2,3)4/h7-12,15,23H,5-6,13-14H2,1-4H3,(H,24,25)