[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: 3-[(4-tert-butylbenzoyl)amino]propionic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C23H27FN2O4 MolecularWeight: 414.469883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)C(C)(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)C(C)(C)C)F

InChI

InChI=1S/C23H27FN2O4/c1-15-5-10-18(13-19(15)24)26-20(27)14-30-21(28)11-12-25-22(29)16-6-8-17(9-7-16)23(2,3)4/h5-10,13H,11-12,14H2,1-4H3,(H,25,29)(H,26,27)