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

Systemtic Name: 2-[4-(4-bromanylphenoxy)butylamino]-5-methyl-benzoic acid Openeye Name: 2-[4-(4-bromophenoxy)butylamino]-5-methyl-benzoic acid CAS Name: 2-[4-(4-bromophenoxy)butylamino]-5-methylbenzoic acid IUPAC Name: 2-[4-(4-bromophenoxy)butylamino]-5-methylbenzoic acid Traditional Name: 2-[4-(4-bromophenoxy)butylamino]-5-methyl-benzoic acid Formula: C18H20BrNO3 MolecularWeight: 378.2603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO3/c1-13-4-9-17(16(12-13)18(21)22)20-10-2-3-11-23-15-7-5-14(19)6-8-15/h4-9,12,20H,2-3,10-11H2,1H3,(H,21,22)