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

Systemtic Name: 3-bromanyl-5-methyl-2-[3-(2-methylphenoxy)propylamino]benzoic acid Openeye Name: 3-bromo-5-methyl-2-[3-(2-methylphenoxy)propylamino]benzoic acid CAS Name: 3-bromo-5-methyl-2-[3-(2-methylphenoxy)propylamino]benzoic acid IUPAC Name: 3-bromo-5-methyl-2-[3-(2-methylphenoxy)propylamino]benzoic acid Traditional Name: 3-bromo-5-methyl-2-[3-(2-methylphenoxy)propylamino]benzoic acid Formula: C18H20BrNO3 MolecularWeight: 378.2603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCCNC2=C(C=C(C=C2C(=O)O)C)Br

Isomeric SMILES

CC1=CC=CC=C1OCCCNC2=C(C=C(C=C2C(=O)O)C)Br

InChI

InChI=1S/C18H20BrNO3/c1-12-10-14(18(21)22)17(15(19)11-12)20-8-5-9-23-16-7-4-3-6-13(16)2/h3-4,6-7,10-11,20H,5,8-9H2,1-2H3,(H,21,22)