4-[4-(4-bromanylphenoxy)butanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[4-(4-bromanylphenoxy)butanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[4-(4-bromophenoxy)butanoylamino]-3-methyl-benzoic acid CAS Name: 4-[[4-(4-bromophenoxy)-1-oxobutyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[4-(4-bromophenoxy)butanoylamino]-3-methylbenzoic acid Traditional Name: 4-[4-(4-bromophenoxy)butanoylamino]-3-methyl-benzoic acid Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCCOC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCCOC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H18BrNO4/c1-12-11-13(18(22)23)4-9-16(12)20-17(21)3-2-10-24-15-7-5-14(19)6-8-15/h4-9,11H,2-3,10H2,1H3,(H,20,21)(H,22,23)