3,3-dimethyl-5-[[2-(4-methylphenoxy)phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3,3-dimethyl-5-[[2-(4-methylphenoxy)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3,3-dimethyl-5-[2-(4-methylphenoxy)anilino]-5-oxo-pentanoate CAS Name: 3,3-dimethyl-5-[2-(4-methylphenoxy)anilino]-5-oxopentanoate IUPAC Name: 3,3-dimethyl-5-[2-(4-methylphenoxy)anilino]-5-oxopentanoate Traditional Name: 5-keto-3,3-dimethyl-5-[2-(4-methylphenoxy)anilino]valerate Formula: C20H22NO4- MolecularWeight: 340.39298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CC(C)(C)CC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CC(C)(C)CC(=O)[O-]

InChI

InChI=1S/C20H23NO4/c1-14-8-10-15(11-9-14)25-17-7-5-4-6-16(17)21-18(22)12-20(2,3)13-19(23)24/h4-11H,12-13H2,1-3H3,(H,21,22)(H,23,24)/p-1