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

Systemtic Name: 4-[3-(3-bromanylphenoxy)propanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[3-(3-bromophenoxy)propanoylamino]-3-methyl-benzoic acid CAS Name: 4-[[3-(3-bromophenoxy)-1-oxopropyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[3-(3-bromophenoxy)propanoylamino]-3-methylbenzoic acid Traditional Name: 4-[3-(3-bromophenoxy)propanoylamino]-3-methyl-benzoic acid Formula: C17H16BrNO4 MolecularWeight: 378.21724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCOC2=CC(=CC=C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C17H16BrNO4/c1-11-9-12(17(21)22)5-6-15(11)19-16(20)7-8-23-14-4-2-3-13(18)10-14/h2-6,9-10H,7-8H2,1H3,(H,19,20)(H,21,22)