2-methyl-3-[[3-oxidanyl-5-(5-phenylpentan-2-yl)phenyl]amino]propanoic acid

Systemtic Name: 2-methyl-3-[[3-oxidanyl-5-(5-phenylpentan-2-yl)phenyl]amino]propanoic acid Openeye Name: 3-[3-hydroxy-5-(1-methyl-4-phenyl-butyl)anilino]-2-methyl-propanoic acid CAS Name: 3-[3-hydroxy-5-(5-phenylpentan-2-yl)anilino]-2-methylpropanoic acid IUPAC Name: 3-[3-hydroxy-5-(5-phenylpentan-2-yl)anilino]-2-methylpropanoic acid Traditional Name: 3-[3-hydroxy-5-(1-methyl-4-phenyl-butyl)anilino]-2-methyl-propionic acid Formula: C21H27NO3 MolecularWeight: 341.44398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)C2=CC(=CC(=C2)O)NCC(C)C(=O)O

Isomeric SMILES

CC(CCCC1=CC=CC=C1)C2=CC(=CC(=C2)O)NCC(C)C(=O)O

InChI

InChI=1S/C21H27NO3/c1-15(7-6-10-17-8-4-3-5-9-17)18-11-19(13-20(23)12-18)22-14-16(2)21(24)25/h3-5,8-9,11-13,15-16,22-23H,6-7,10,14H2,1-2H3,(H,24,25)