2-[3-(4-tert-butylphenoxy)propylamino]-5-chloranyl-benzoic acid

Systemtic Name: 2-[3-(4-tert-butylphenoxy)propylamino]-5-chloranyl-benzoic acid Openeye Name: 2-[3-(4-tert-butylphenoxy)propylamino]-5-chloro-benzoic acid CAS Name: 2-[3-(4-tert-butylphenoxy)propylamino]-5-chlorobenzoic acid IUPAC Name: 2-[3-(4-tert-butylphenoxy)propylamino]-5-chlorobenzoic acid Traditional Name: 2-[3-(4-tert-butylphenoxy)propylamino]-5-chloro-benzoic acid Formula: C20H24ClNO3 MolecularWeight: 361.86246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCNC2=C(C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCNC2=C(C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C20H24ClNO3/c1-20(2,3)14-5-8-16(9-6-14)25-12-4-11-22-18-10-7-15(21)13-17(18)19(23)24/h5-10,13,22H,4,11-12H2,1-3H3,(H,23,24)