[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-benzamido-3-oxidanyl-propanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-benzamido-3-oxidanyl-propanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-benzamido-3-hydroxy-propanoate CAS Name: 2-benzamido-3-hydroxypropanoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-benzamido-3-hydroxypropanoate Traditional Name: 2-benzamido-3-hydroxy-propionic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C(CO)NC(=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C(CO)NC(=O)C2=CC=CC=C2)C)C

InChI

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