3-[4-(2,2-dimethylbutanoylamino)phenyl]-3-oxidanylidene-2-phenyl-propanoate

Systemtic Name: 3-[4-(2,2-dimethylbutanoylamino)phenyl]-3-oxidanylidene-2-phenyl-propanoate Openeye Name: 3-[4-(2,2-dimethylbutanoylamino)phenyl]-3-oxo-2-phenyl-propanoate CAS Name: 3-[4-[(2,2-dimethyl-1-oxobutyl)amino]phenyl]-3-oxo-2-phenylpropanoate IUPAC Name: 3-[4-(2,2-dimethylbutanoylamino)phenyl]-3-oxo-2-phenylpropanoate Traditional Name: 3-[4-(2,2-dimethylbutanoylamino)phenyl]-3-keto-2-phenyl-propionate Formula: C21H22NO4- MolecularWeight: 352.40368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4/c1-4-21(2,3)20(26)22-16-12-10-15(11-13-16)18(23)17(19(24)25)14-8-6-5-7-9-14/h5-13,17H,4H2,1-3H3,(H,22,26)(H,24,25)/p-1