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

Systemtic Name: 2-[4-(4-tert-butylphenoxy)butylamino]-3-methyl-benzoic acid Openeye Name: 2-[4-(4-tert-butylphenoxy)butylamino]-3-methyl-benzoic acid CAS Name: 2-[4-(4-tert-butylphenoxy)butylamino]-3-methylbenzoic acid IUPAC Name: 2-[4-(4-tert-butylphenoxy)butylamino]-3-methylbenzoic acid Traditional Name: 2-[4-(4-tert-butylphenoxy)butylamino]-3-methyl-benzoic acid Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NCCCCOC2=CC=C(C=C2)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NCCCCOC2=CC=C(C=C2)C(C)(C)C)C(=O)O

InChI

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