5-[[4-(cyanomethyl)phenyl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[4-(cyanomethyl)phenyl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(cyanomethyl)anilino]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[4-(cyanomethyl)anilino]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-[4-(cyanomethyl)anilino]-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-[4-(cyanomethyl)anilino]-5-keto-3,3-dimethyl-valeric acid Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1=CC=C(C=C1)CC#N)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)NC1=CC=C(C=C1)CC#N)CC(=O)O

InChI

InChI=1S/C15H18N2O3/c1-15(2,10-14(19)20)9-13(18)17-12-5-3-11(4-6-12)7-8-16/h3-6H,7,9-10H2,1-2H3,(H,17,18)(H,19,20)