3,3-dimethyl-5-oxidanylidene-5-[(4-phenethyloxyphenyl)amino]pentanoate

Systemtic Name: 3,3-dimethyl-5-oxidanylidene-5-[(4-phenethyloxyphenyl)amino]pentanoate Openeye Name: 3,3-dimethyl-5-oxo-5-(4-phenethyloxyanilino)pentanoate CAS Name: 3,3-dimethyl-5-oxo-5-(4-phenethyloxyanilino)pentanoate IUPAC Name: 3,3-dimethyl-5-oxo-5-(4-phenethyloxyanilino)pentanoate Traditional Name: 5-keto-3,3-dimethyl-5-(4-phenethyloxyanilino)valerate Formula: C21H24NO4- MolecularWeight: 354.41956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1=CC=C(C=C1)OCCC2=CC=CC=C2)CC(=O)[O-]

Isomeric SMILES

CC(C)(CC(=O)NC1=CC=C(C=C1)OCCC2=CC=CC=C2)CC(=O)[O-]

InChI

InChI=1S/C21H25NO4/c1-21(2,15-20(24)25)14-19(23)22-17-8-10-18(11-9-17)26-13-12-16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3,(H,22,23)(H,24,25)/p-1