3-[2-[1-[(3-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]oxyphenyl]propanoic acid

Systemtic Name: 3-[2-[1-[(3-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]oxyphenyl]propanoic acid Openeye Name: 3-[2-[2-(3-bromoanilino)-1-methyl-2-oxo-ethoxy]phenyl]propanoic acid CAS Name: 3-[2-[1-(3-bromoanilino)-1-oxopropan-2-yl]oxyphenyl]propanoic acid IUPAC Name: 3-[2-[1-(3-bromoanilino)-1-oxopropan-2-yl]oxyphenyl]propanoic acid Traditional Name: 3-[2-[2-(3-bromoanilino)-2-keto-1-methyl-ethoxy]phenyl]propionic acid Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Br)OC2=CC=CC=C2CCC(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)Br)OC2=CC=CC=C2CCC(=O)O

InChI

InChI=1S/C18H18BrNO4/c1-12(18(23)20-15-7-4-6-14(19)11-15)24-16-8-3-2-5-13(16)9-10-17(21)22/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22)