ethyl 4-[(2S,3R)-2-(4-methoxyphenyl)-4-oxidanylidene-3-(3-phenylpropyl)azetidin-1-yl]benzoate

Systemtic Name: ethyl 4-[(2S,3R)-2-(4-methoxyphenyl)-4-oxidanylidene-3-(3-phenylpropyl)azetidin-1-yl]benzoate Openeye Name: ethyl 4-[(2S,3R)-2-(4-methoxyphenyl)-4-oxo-3-(3-phenylpropyl)azetidin-1-yl]benzoate CAS Name: 4-[(2S,3R)-2-(4-methoxyphenyl)-4-oxo-3-(3-phenylpropyl)-1-azetidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2S,3R)-2-(4-methoxyphenyl)-4-oxo-3-(3-phenylpropyl)azetidin-1-yl]benzoate Traditional Name: 4-[(3R,4S)-2-keto-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-1-yl]benzoic acid ethyl ester Formula: C28H29NO4 MolecularWeight: 443.53416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(C(C2=O)CCCC3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2[C@@H]([C@H](C2=O)CCCC3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H29NO4/c1-3-33-28(31)22-12-16-23(17-13-22)29-26(21-14-18-24(32-2)19-15-21)25(27(29)30)11-7-10-20-8-5-4-6-9-20/h4-6,8-9,12-19,25-26H,3,7,10-11H2,1-2H3/t25-,26-/m1/s1