1-[[3-methyl-2-[4-[(4-phenylmethoxyphenyl)amino]quinazolin-6-yl]imidazol-4-yl]methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[[3-methyl-2-[4-[(4-phenylmethoxyphenyl)amino]quinazolin-6-yl]imidazol-4-yl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[2-[4-(4-benzyloxyanilino)quinazolin-6-yl]-3-methyl-imidazol-4-yl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[3-methyl-2-[4-(4-phenylmethoxyanilino)-6-quinazolinyl]-4-imidazolyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[3-methyl-2-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]imidazol-4-yl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[2-[4-(4-benzoxyanilino)quinazolin-6-yl]-3-methyl-imidazol-4-yl]methyl]proline Formula: C31H30N6O3 MolecularWeight: 534.6083

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC=CC=C5)CN6CCCC6C(=O)O

Isomeric SMILES

CN1C(=CN=C1C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC=CC=C5)CN6CCCC6C(=O)O

InChI

InChI=1S/C31H30N6O3/c1-36-24(18-37-15-5-8-28(37)31(38)39)17-32-30(36)22-9-14-27-26(16-22)29(34-20-33-27)35-23-10-12-25(13-11-23)40-19-21-6-3-2-4-7-21/h2-4,6-7,9-14,16-17,20,28H,5,8,15,18-19H2,1H3,(H,38,39)(H,33,34,35)