4-[2-(4-methoxyphenyl)-3-oxidanylidene-4-(3-phenylpropyl)azetidin-2-yl]benzoic acid

Systemtic Name: 4-[2-(4-methoxyphenyl)-3-oxidanylidene-4-(3-phenylpropyl)azetidin-2-yl]benzoic acid Openeye Name: 4-[2-(4-methoxyphenyl)-3-oxo-4-(3-phenylpropyl)azetidin-2-yl]benzoic acid CAS Name: 4-[2-(4-methoxyphenyl)-3-oxo-4-(3-phenylpropyl)-2-azetidinyl]benzoic acid IUPAC Name: 4-[2-(4-methoxyphenyl)-3-oxo-4-(3-phenylpropyl)azetidin-2-yl]benzoic acid Traditional Name: 4-[3-keto-2-(4-methoxyphenyl)-4-(3-phenylpropyl)azetidin-2-yl]benzoic acid Formula: C26H25NO4 MolecularWeight: 415.481

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(C(=O)C(N2)CCCC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2(C(=O)C(N2)CCCC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H25NO4/c1-31-22-16-14-21(15-17-22)26(20-12-10-19(11-13-20)25(29)30)24(28)23(27-26)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-17,23,27H,5,8-9H2,1H3,(H,29,30)