methyl 4-[(3S)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-1-propan-2-yl-azetidin-3-yl]benzoate

Systemtic Name: methyl 4-[(3S)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-1-propan-2-yl-azetidin-3-yl]benzoate Openeye Name: methyl 4-[(3S)-3-hydroxy-1-isopropyl-2,2-dimethyl-4-oxo-azetidin-3-yl]benzoate CAS Name: 4-[(3S)-3-hydroxy-2,2-dimethyl-4-oxo-1-propan-2-yl-3-azetidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3S)-3-hydroxy-2,2-dimethyl-4-oxo-1-propan-2-ylazetidin-3-yl]benzoate Traditional Name: 4-[(3S)-3-hydroxy-1-isopropyl-4-keto-2,2-dimethyl-azetidin-3-yl]benzoic acid methyl ester Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C(C1(C)C)(C2=CC=C(C=C2)C(=O)OC)O

Isomeric SMILES

CC(C)N1C(=O)[C@@](C1(C)C)(C2=CC=C(C=C2)C(=O)OC)O

InChI

InChI=1S/C16H21NO4/c1-10(2)17-14(19)16(20,15(17,3)4)12-8-6-11(7-9-12)13(18)21-5/h6-10,20H,1-5H3/t16-/m1/s1