4-[butyl-[(3-cyano-4-phenyl-phenyl)methyl]amino]-2,2-dimethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[butyl-[(3-cyano-4-phenyl-phenyl)methyl]amino]-2,2-dimethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[butyl-[(3-cyano-4-phenyl-phenyl)methyl]amino]-2,2-dimethyl-4-oxo-butanoic acid CAS Name: 4-[butyl-[(3-cyano-4-phenylphenyl)methyl]amino]-2,2-dimethyl-4-oxobutanoic acid IUPAC Name: 4-[butyl-[(3-cyano-4-phenylphenyl)methyl]amino]-2,2-dimethyl-4-oxobutanoic acid Traditional Name: 4-[butyl-(3-cyano-4-phenyl-benzyl)amino]-4-keto-2,2-dimethyl-butyric acid Formula: C24H28N2O3 MolecularWeight: 392.49072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC(=C(C=C1)C2=CC=CC=C2)C#N)C(=O)CC(C)(C)C(=O)O

Isomeric SMILES

CCCCN(CC1=CC(=C(C=C1)C2=CC=CC=C2)C#N)C(=O)CC(C)(C)C(=O)O

InChI

InChI=1S/C24H28N2O3/c1-4-5-13-26(22(27)15-24(2,3)23(28)29)17-18-11-12-21(20(14-18)16-25)19-9-7-6-8-10-19/h6-12,14H,4-5,13,15,17H2,1-3H3,(H,28,29)