4-[1-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-3-phenoxy-azetidin-2-yl]benzoic acid

Systemtic Name: 4-[1-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-3-phenoxy-azetidin-2-yl]benzoic acid Openeye Name: 4-[1-[(3,4-dimethoxyphenyl)methyl]-4-oxo-3-phenoxy-azetidin-2-yl]benzoic acid CAS Name: 4-[1-[(3,4-dimethoxyphenyl)methyl]-4-oxo-3-phenoxy-2-azetidinyl]benzoic acid IUPAC Name: 4-[1-[(3,4-dimethoxyphenyl)methyl]-4-oxo-3-phenoxyazetidin-2-yl]benzoic acid Traditional Name: 4-(4-keto-3-phenoxy-1-veratryl-azetidin-2-yl)benzoic acid Formula: C25H23NO6 MolecularWeight: 433.45322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(C(C2=O)OC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(C(C2=O)OC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C25H23NO6/c1-30-20-13-8-16(14-21(20)31-2)15-26-22(17-9-11-18(12-10-17)25(28)29)23(24(26)27)32-19-6-4-3-5-7-19/h3-14,22-23H,15H2,1-2H3,(H,28,29)