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

Systemtic Name: 2-[3-(4-tert-butylphenoxy)propylamino]-3-methyl-benzoic acid Openeye Name: 2-[3-(4-tert-butylphenoxy)propylamino]-3-methyl-benzoic acid CAS Name: 2-[3-(4-tert-butylphenoxy)propylamino]-3-methylbenzoic acid IUPAC Name: 2-[3-(4-tert-butylphenoxy)propylamino]-3-methylbenzoic acid Traditional Name: 2-[3-(4-tert-butylphenoxy)propylamino]-3-methyl-benzoic acid Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NCCCOC2=CC=C(C=C2)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NCCCOC2=CC=C(C=C2)C(C)(C)C)C(=O)O

InChI

InChI=1S/C21H27NO3/c1-15-7-5-8-18(20(23)24)19(15)22-13-6-14-25-17-11-9-16(10-12-17)21(2,3)4/h5,7-12,22H,6,13-14H2,1-4H3,(H,23,24)