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

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-tert-butylphenyl)carbonylamino]ethanoate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]acetic acid [2-(3-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]acetic acid [2-(3-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)C(C)(C)C)Cl

InChI

InChI=1S/C22H25ClN2O4/c1-14-5-10-17(11-18(14)23)25-19(26)13-29-20(27)12-24-21(28)15-6-8-16(9-7-15)22(2,3)4/h5-11H,12-13H2,1-4H3,(H,24,28)(H,25,26)