[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-phenyl-propanoate

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-phenyl-propanoate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] (2S)-2-benzamido-3-phenyl-propanoate CAS Name: (2S)-2-benzamido-3-phenylpropanoic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate Traditional Name: (2S)-2-benzamido-3-phenyl-propionic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C26H25NO4 MolecularWeight: 415.481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C26H25NO4/c1-18-13-14-22(19(2)15-18)24(28)17-31-26(30)23(16-20-9-5-3-6-10-20)27-25(29)21-11-7-4-8-12-21/h3-15,23H,16-17H2,1-2H3,(H,27,29)/t23-/m0/s1