3-bromanyl-2-[3-(4-methoxyphenoxy)propylamino]-5-methyl-benzoic acid

Systemtic Name: 3-bromanyl-2-[3-(4-methoxyphenoxy)propylamino]-5-methyl-benzoic acid Openeye Name: 3-bromo-2-[3-(4-methoxyphenoxy)propylamino]-5-methyl-benzoic acid CAS Name: 3-bromo-2-[3-(4-methoxyphenoxy)propylamino]-5-methylbenzoic acid IUPAC Name: 3-bromo-2-[3-(4-methoxyphenoxy)propylamino]-5-methylbenzoic acid Traditional Name: 3-bromo-2-[3-(4-methoxyphenoxy)propylamino]-5-methyl-benzoic acid Formula: C18H20BrNO4 MolecularWeight: 394.2597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)NCCCOC2=CC=C(C=C2)OC)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)NCCCOC2=CC=C(C=C2)OC)Br

InChI

InChI=1S/C18H20BrNO4/c1-12-10-15(18(21)22)17(16(19)11-12)20-8-3-9-24-14-6-4-13(23-2)5-7-14/h4-7,10-11,20H,3,8-9H2,1-2H3,(H,21,22)