[2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-tert-butylphenoxy)propanoate

Systemtic Name: [2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-tert-butylphenoxy)propanoate Openeye Name: [2-(2-chloro-4-methyl-anilino)-2-oxo-ethyl] 3-(4-tert-butylphenoxy)propanoate CAS Name: 3-(4-tert-butylphenoxy)propanoic acid [2-(2-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate Traditional Name: 3-(4-tert-butylphenoxy)propionic acid [2-(2-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C22H26ClNO4 MolecularWeight: 403.89914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCOC2=CC=C(C=C2)C(C)(C)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCOC2=CC=C(C=C2)C(C)(C)C)Cl

InChI

InChI=1S/C22H26ClNO4/c1-15-5-10-19(18(23)13-15)24-20(25)14-28-21(26)11-12-27-17-8-6-16(7-9-17)22(2,3)4/h5-10,13H,11-12,14H2,1-4H3,(H,24,25)