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

Systemtic Name: 3-[5-[3-(4-methylphenyl)prop-2-ynyl]-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]-2-propan-2-yloxy-propanoic acid Openeye Name: 2-isopropoxy-3-[6-oxo-5-[3-(p-tolyl)prop-2-ynyl]cyclohexa-1,3-dien-1-yl]propanoic acid CAS Name: 3-[5-[3-(4-methylphenyl)prop-2-ynyl]-6-oxo-1-cyclohexa-1,3-dienyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[5-[3-(4-methylphenyl)prop-2-ynyl]-6-oxocyclohexa-1,3-dien-1-yl]-2-propan-2-yloxypropanoic acid Traditional Name: 2-isopropoxy-3-[6-keto-5-[3-(p-tolyl)prop-2-ynyl]cyclohexa-1,3-dien-1-yl]propionic acid Formula: C22H24O4 MolecularWeight: 352.42356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CCC2C=CC=C(C2=O)CC(C(=O)O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C#CCC2C=CC=C(C2=O)CC(C(=O)O)OC(C)C

InChI

InChI=1S/C22H24O4/c1-15(2)26-20(22(24)25)14-19-9-5-8-18(21(19)23)7-4-6-17-12-10-16(3)11-13-17/h5,8-13,15,18,20H,7,14H2,1-3H3,(H,24,25)