[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-(2-phenylethanoylamino)benzoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-(2-phenylethanoylamino)benzoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 4-[(2-phenylacetyl)amino]benzoate CAS Name: 4-[(1-oxo-2-phenylethyl)amino]benzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 4-[(2-phenylacetyl)amino]benzoate Traditional Name: 4-[(2-phenylacetyl)amino]benzoic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C25H23NO4 MolecularWeight: 401.45442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H23NO4/c1-17-8-9-18(2)22(14-17)23(27)16-30-25(29)20-10-12-21(13-11-20)26-24(28)15-19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,26,28)