4-[[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(5-bromo-2-methoxy-3-methyl-benzoyl)amino]methyl]benzoic acid CAS Name: 4-[[[(5-bromo-2-methoxy-3-methylphenyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(5-bromo-2-methoxy-3-methylbenzoyl)amino]methyl]benzoic acid Traditional Name: 4-[[(5-bromo-2-methoxy-3-methyl-benzoyl)amino]methyl]benzoic acid Formula: C17H16BrNO4 MolecularWeight: 378.21724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NCC2=CC=C(C=C2)C(=O)O)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NCC2=CC=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C17H16BrNO4/c1-10-7-13(18)8-14(15(10)23-2)16(20)19-9-11-3-5-12(6-4-11)17(21)22/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)