3-[(1S)-4-(4-ethoxyphenyl)-2-oxidanylidene-cyclohex-3-en-1-yl]propanoic acid

Systemtic Name: 3-[(1S)-4-(4-ethoxyphenyl)-2-oxidanylidene-cyclohex-3-en-1-yl]propanoic acid Openeye Name: 3-[(1S)-4-(4-ethoxyphenyl)-2-oxo-cyclohex-3-en-1-yl]propanoic acid CAS Name: 3-[(1S)-4-(4-ethoxyphenyl)-2-oxo-1-cyclohex-3-enyl]propanoic acid IUPAC Name: 3-[(1S)-4-(4-ethoxyphenyl)-2-oxocyclohex-3-en-1-yl]propanoic acid Traditional Name: 3-[(1S)-2-keto-4-p-phenetyl-cyclohex-3-en-1-yl]propionic acid Formula: C17H20O4 MolecularWeight: 288.3383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=O)C(CC2)CCC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=O)[C@@H](CC2)CCC(=O)O

InChI

InChI=1S/C17H20O4/c1-2-21-15-8-5-12(6-9-15)14-4-3-13(16(18)11-14)7-10-17(19)20/h5-6,8-9,11,13H,2-4,7,10H2,1H3,(H,19,20)/t13-/m0/s1