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

Systemtic Name: 3-[4-[2-(4-methoxyphenyl)-3-oxidanylidene-4-(3-phenylpropyl)azetidin-2-yl]phenyl]propanoic acid Openeye Name: 3-[4-[2-(4-methoxyphenyl)-3-oxo-4-(3-phenylpropyl)azetidin-2-yl]phenyl]propanoic acid CAS Name: 3-[4-[2-(4-methoxyphenyl)-3-oxo-4-(3-phenylpropyl)-2-azetidinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(4-methoxyphenyl)-3-oxo-4-(3-phenylpropyl)azetidin-2-yl]phenyl]propanoic acid Traditional Name: 3-[4-[3-keto-2-(4-methoxyphenyl)-4-(3-phenylpropyl)azetidin-2-yl]phenyl]propionic acid Formula: C28H29NO4 MolecularWeight: 443.53416

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO4/c1-33-24-17-15-23(16-18-24)28(22-13-10-21(11-14-22)12-19-26(30)31)27(32)25(29-28)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,10-11,13-18,25,29H,5,8-9,12,19H2,1H3,(H,30,31)