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

Systemtic Name: 3-[3-[(1S,2S)-2-ethoxycarbonylcyclopropyl]-3-oxidanylidene-propyl]benzoic acid Openeye Name: 3-[3-[(1S,2S)-2-ethoxycarbonylcyclopropyl]-3-oxo-propyl]benzoic acid CAS Name: 3-[3-[(1S,2S)-2-ethoxycarbonylcyclopropyl]-3-oxopropyl]benzoic acid IUPAC Name: 3-[3-[(1S,2S)-2-ethoxycarbonylcyclopropyl]-3-oxopropyl]benzoic acid Traditional Name: 3-[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=CC(=C2)C(=O)O

Isomeric SMILES

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

InChI

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