4-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-(2-bromo-4,5-dimethoxy-phenyl)acetyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[2-(2-bromo-4,5-dimethoxyphenyl)-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-(2-bromo-4,5-dimethoxy-phenyl)acetyl]amino]-3-methyl-benzoic acid Formula: C18H18BrNO5 MolecularWeight: 408.24322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C18H18BrNO5/c1-10-6-11(18(22)23)4-5-14(10)20-17(21)8-12-7-15(24-2)16(25-3)9-13(12)19/h4-7,9H,8H2,1-3H3,(H,20,21)(H,22,23)