octyl 2-[3-(hydroxymethyl)-3-methyl-2-oxidanylidene-azetidin-1-yl]-3-phenyl-propanoate

Systemtic Name: octyl 2-[3-(hydroxymethyl)-3-methyl-2-oxidanylidene-azetidin-1-yl]-3-phenyl-propanoate Openeye Name: octyl 2-[3-(hydroxymethyl)-3-methyl-2-oxo-azetidin-1-yl]-3-phenyl-propanoate CAS Name: 2-[3-(hydroxymethyl)-3-methyl-2-oxo-1-azetidinyl]-3-phenylpropanoic acid octyl ester IUPAC Name: octyl 2-[3-(hydroxymethyl)-3-methyl-2-oxoazetidin-1-yl]-3-phenylpropanoate Traditional Name: 2-(2-keto-3-methyl-3-methylol-azetidin-1-yl)-3-phenyl-propionic acid octyl ester Formula: C22H33NO4 MolecularWeight: 375.50172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CC1=CC=CC=C1)N2CC(C2=O)(C)CO

Isomeric SMILES

CCCCCCCCOC(=O)C(CC1=CC=CC=C1)N2CC(C2=O)(C)CO

InChI

InChI=1S/C22H33NO4/c1-3-4-5-6-7-11-14-27-20(25)19(15-18-12-9-8-10-13-18)23-16-22(2,17-24)21(23)26/h8-10,12-13,19,24H,3-7,11,14-17H2,1-2H3