4-[3-[(1S,2S)-2-ethoxycarbonylcyclopropyl]-3-oxidanylidene-propyl]benzoic acid

Systemtic Name: 4-[3-[(1S,2S)-2-ethoxycarbonylcyclopropyl]-3-oxidanylidene-propyl]benzoic acid Openeye Name: 4-[3-[(1S,2S)-2-ethoxycarbonylcyclopropyl]-3-oxo-propyl]benzoic acid CAS Name: 4-[3-[(1S,2S)-2-ethoxycarbonylcyclopropyl]-3-oxopropyl]benzoic acid IUPAC Name: 4-[3-[(1S,2S)-2-ethoxycarbonylcyclopropyl]-3-oxopropyl]benzoic acid Traditional Name: 4-[3-[(1S,2S)-2-carbethoxycyclopropyl]-3-keto-propyl]benzoic acid Formula: C16H18O5 MolecularWeight: 290.31112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1C(=O)CCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H]1C(=O)CCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H18O5/c1-2-21-16(20)13-9-12(13)14(17)8-5-10-3-6-11(7-4-10)15(18)19/h3-4,6-7,12-13H,2,5,8-9H2,1H3,(H,18,19)/t12-,13-/m0/s1