ethyl 4-[(2S,3S)-2-(4-ethoxyphenyl)-3-(4-methoxyphenoxy)-4-oxidanylidene-azetidin-1-yl]benzoate

Systemtic Name: ethyl 4-[(2S,3S)-2-(4-ethoxyphenyl)-3-(4-methoxyphenoxy)-4-oxidanylidene-azetidin-1-yl]benzoate Openeye Name: ethyl 4-[(2S,3S)-2-(4-ethoxyphenyl)-3-(4-methoxyphenoxy)-4-oxo-azetidin-1-yl]benzoate CAS Name: 4-[(2S,3S)-2-(4-ethoxyphenyl)-3-(4-methoxyphenoxy)-4-oxo-1-azetidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2S,3S)-2-(4-ethoxyphenyl)-3-(4-methoxyphenoxy)-4-oxoazetidin-1-yl]benzoate Traditional Name: 4-[(3S,4S)-2-keto-3-(4-methoxyphenoxy)-4-p-phenetyl-azetidin-1-yl]benzoic acid ethyl ester Formula: C27H27NO6 MolecularWeight: 461.50638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)C(=O)OCC)OC4=CC=C(C=C4)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2[C@@H](C(=O)N2C3=CC=C(C=C3)C(=O)OCC)OC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H27NO6/c1-4-32-22-12-8-18(9-13-22)24-25(34-23-16-14-21(31-3)15-17-23)26(29)28(24)20-10-6-19(7-11-20)27(30)33-5-2/h6-17,24-25H,4-5H2,1-3H3/t24-,25-/m0/s1