5-bromanyl-2-[2-[(5S)-4,5-dimethoxycyclohexa-1,3-dien-1-yl]ethanoylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[2-[(5S)-4,5-dimethoxycyclohexa-1,3-dien-1-yl]ethanoylamino]benzoic acid Openeye Name: 5-bromo-2-[[2-[(5S)-4,5-dimethoxycyclohexa-1,3-dien-1-yl]acetyl]amino]benzoic acid CAS Name: 5-bromo-2-[[2-[(5S)-4,5-dimethoxy-1-cyclohexa-1,3-dienyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[2-[(5S)-4,5-dimethoxycyclohexa-1,3-dien-1-yl]acetyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[2-[(5S)-4,5-dimethoxycyclohexa-1,3-dien-1-yl]acetyl]amino]benzoic acid Formula: C17H18BrNO5 MolecularWeight: 396.23252

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(=CC=C1OC)CC(=O)NC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CO[C@H]1CC(=CC=C1OC)CC(=O)NC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C17H18BrNO5/c1-23-14-6-3-10(7-15(14)24-2)8-16(20)19-13-5-4-11(18)9-12(13)17(21)22/h3-6,9,15H,7-8H2,1-2H3,(H,19,20)(H,21,22)/t15-/m0/s1