[(2S,3S)-1-(4-methoxyphenyl)-4-oxidanylidene-3-(phenylmethyl)azetidin-2-yl]methyl benzoate

Systemtic Name: [(2S,3S)-1-(4-methoxyphenyl)-4-oxidanylidene-3-(phenylmethyl)azetidin-2-yl]methyl benzoate Openeye Name: [(2S,3S)-3-benzyl-1-(4-methoxyphenyl)-4-oxo-azetidin-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,3S)-1-(4-methoxyphenyl)-4-oxo-3-(phenylmethyl)-2-azetidinyl]methyl ester IUPAC Name: [(2S,3S)-3-benzyl-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,3S)-3-benzyl-4-keto-1-(4-methoxyphenyl)azetidin-2-yl]methyl ester Formula: C25H23NO4 MolecularWeight: 401.45442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(C(C2=O)CC3=CC=CC=C3)COC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2[C@@H]([C@@H](C2=O)CC3=CC=CC=C3)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H23NO4/c1-29-21-14-12-20(13-15-21)26-23(17-30-25(28)19-10-6-3-7-11-19)22(24(26)27)16-18-8-4-2-5-9-18/h2-15,22-23H,16-17H2,1H3/t22-,23+/m0/s1