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

Systemtic Name: 3-[5-(4-chlorophenyl)-6-oxidanylidene-5-prop-2-ynyl-cyclohexa-1,3-dien-1-yl]-2-propan-2-yloxy-propanoic acid Openeye Name: 3-[5-(4-chlorophenyl)-6-oxo-5-prop-2-ynyl-cyclohexa-1,3-dien-1-yl]-2-isopropoxy-propanoic acid CAS Name: 3-[5-(4-chlorophenyl)-6-oxo-5-prop-2-ynyl-1-cyclohexa-1,3-dienyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[5-(4-chlorophenyl)-6-oxo-5-prop-2-ynylcyclohexa-1,3-dien-1-yl]-2-propan-2-yloxypropanoic acid Traditional Name: 3-[5-(4-chlorophenyl)-6-keto-5-propargyl-cyclohexa-1,3-dien-1-yl]-2-isopropoxy-propionic acid Formula: C21H21ClO4 MolecularWeight: 372.84204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(CC1=CC=CC(C1=O)(CC#C)C2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC(C)OC(CC1=CC=CC(C1=O)(CC#C)C2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C21H21ClO4/c1-4-11-21(16-7-9-17(22)10-8-16)12-5-6-15(19(21)23)13-18(20(24)25)26-14(2)3/h1,5-10,12,14,18H,11,13H2,2-3H3,(H,24,25)