methyl (2S)-2-[[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethoxy]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethoxy]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(2,5-dimethylphenyl)-2-oxo-ethoxy]carbonylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[2-(2,5-dimethylphenyl)-2-oxoethoxy]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(2,5-dimethylphenyl)-2-oxoethoxy]carbonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(2,5-dimethylphenyl)-2-keto-ethoxy]carbonylamino]-3-phenyl-propionic acid methyl ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H23NO5/c1-14-9-10-15(2)17(11-14)19(23)13-27-21(25)22-18(20(24)26-3)12-16-7-5-4-6-8-16/h4-11,18H,12-13H2,1-3H3,(H,22,25)/t18-/m0/s1