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

Systemtic Name: [(2S,3S)-1-(4-methoxyphenyl)-3-methyl-4-oxidanylidene-azetidin-2-yl]methyl 2-acetyloxybenzoate Openeye Name: [(2S,3S)-1-(4-methoxyphenyl)-3-methyl-4-oxo-azetidin-2-yl]methyl 2-acetoxybenzoate CAS Name: 2-acetyloxybenzoic acid [(2S,3S)-1-(4-methoxyphenyl)-3-methyl-4-oxo-2-azetidinyl]methyl ester IUPAC Name: [(2S,3S)-1-(4-methoxyphenyl)-3-methyl-4-oxoazetidin-2-yl]methyl 2-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid [(2S,3S)-4-keto-1-(4-methoxyphenyl)-3-methyl-azetidin-2-yl]methyl ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(C1=O)C2=CC=C(C=C2)OC)COC(=O)C3=CC=CC=C3OC(=O)C

Isomeric SMILES

C[C@H]1[C@H](N(C1=O)C2=CC=C(C=C2)OC)COC(=O)C3=CC=CC=C3OC(=O)C

InChI

InChI=1S/C21H21NO6/c1-13-18(22(20(13)24)15-8-10-16(26-3)11-9-15)12-27-21(25)17-6-4-5-7-19(17)28-14(2)23/h4-11,13,18H,12H2,1-3H3/t13-,18+/m0/s1