(2R)-1-[2-[4-[[6-(2,6-dimethylphenyl)quinazolin-2-yl]amino]phenoxy]ethyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2R)-1-[2-[4-[[6-(2,6-dimethylphenyl)quinazolin-2-yl]amino]phenoxy]ethyl]pyrrolidine-2-carboxylic acid Openeye Name: (2R)-1-[2-[4-[[6-(2,6-dimethylphenyl)quinazolin-2-yl]amino]phenoxy]ethyl]pyrrolidine-2-carboxylic acid CAS Name: (2R)-1-[2-[4-[[6-(2,6-dimethylphenyl)-2-quinazolinyl]amino]phenoxy]ethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2R)-1-[2-[4-[[6-(2,6-dimethylphenyl)quinazolin-2-yl]amino]phenoxy]ethyl]pyrrolidine-2-carboxylic acid Traditional Name: (2R)-1-[2-[4-[[6-(2,6-dimethylphenyl)quinazolin-2-yl]amino]phenoxy]ethyl]proline Formula: C29H30N4O3 MolecularWeight: 482.5735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=CC3=CN=C(N=C3C=C2)NC4=CC=C(C=C4)OCCN5CCCC5C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=CC3=CN=C(N=C3C=C2)NC4=CC=C(C=C4)OCCN5CCC[C@@H]5C(=O)O

InChI

InChI=1S/C29H30N4O3/c1-19-5-3-6-20(2)27(19)21-8-13-25-22(17-21)18-30-29(32-25)31-23-9-11-24(12-10-23)36-16-15-33-14-4-7-26(33)28(34)35/h3,5-6,8-13,17-18,26H,4,7,14-16H2,1-2H3,(H,34,35)(H,30,31,32)/t26-/m1/s1