3-[5-[3-(3-bromophenyl)prop-2-ynyl]-4-methoxy-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]-2-propan-2-yloxy-propanoic acid

Systemtic Name: 3-[5-[3-(3-bromophenyl)prop-2-ynyl]-4-methoxy-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]-2-propan-2-yloxy-propanoic acid Openeye Name: 3-[5-[3-(3-bromophenyl)prop-2-ynyl]-4-methoxy-6-oxo-cyclohexa-1,3-dien-1-yl]-2-isopropoxy-propanoic acid CAS Name: 3-[5-[3-(3-bromophenyl)prop-2-ynyl]-4-methoxy-6-oxo-1-cyclohexa-1,3-dienyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[5-[3-(3-bromophenyl)prop-2-ynyl]-4-methoxy-6-oxocyclohexa-1,3-dien-1-yl]-2-propan-2-yloxypropanoic acid Traditional Name: 3-[5-[3-(3-bromophenyl)prop-2-ynyl]-6-keto-4-methoxy-cyclohexa-1,3-dien-1-yl]-2-isopropoxy-propionic acid Formula: C22H23BrO5 MolecularWeight: 447.31902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(CC1=CC=C(C(C1=O)CC#CC2=CC(=CC=C2)Br)OC)C(=O)O

Isomeric SMILES

CC(C)OC(CC1=CC=C(C(C1=O)CC#CC2=CC(=CC=C2)Br)OC)C(=O)O

InChI

InChI=1S/C22H23BrO5/c1-14(2)28-20(22(25)26)13-16-10-11-19(27-3)18(21(16)24)9-5-7-15-6-4-8-17(23)12-15/h4,6,8,10-12,14,18,20H,9,13H2,1-3H3,(H,25,26)