4-[(1S,2R)-2-(3,5-dimethoxyphenyl)-1-oxidanyl-cyclobutyl]benzoic acid

Systemtic Name: 4-[(1S,2R)-2-(3,5-dimethoxyphenyl)-1-oxidanyl-cyclobutyl]benzoic acid Openeye Name: 4-[(1S,2R)-2-(3,5-dimethoxyphenyl)-1-hydroxy-cyclobutyl]benzoic acid CAS Name: 4-[(1S,2R)-2-(3,5-dimethoxyphenyl)-1-hydroxycyclobutyl]benzoic acid IUPAC Name: 4-[(1S,2R)-2-(3,5-dimethoxyphenyl)-1-hydroxycyclobutyl]benzoic acid Traditional Name: 4-[(1S,2R)-2-(3,5-dimethoxyphenyl)-1-hydroxy-cyclobutyl]benzoic acid Formula: C19H20O5 MolecularWeight: 328.3591

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2CCC2(C3=CC=C(C=C3)C(=O)O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)[C@H]2CC[C@]2(C3=CC=C(C=C3)C(=O)O)O)OC

InChI

InChI=1S/C19H20O5/c1-23-15-9-13(10-16(11-15)24-2)17-7-8-19(17,22)14-5-3-12(4-6-14)18(20)21/h3-6,9-11,17,22H,7-8H2,1-2H3,(H,20,21)/t17-,19-/m1/s1