4-[3-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[3-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]piperazine-1-carboxylic acid Openeye Name: 4-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]piperazine-1-carboxylic acid CAS Name: 4-[3-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]prop-2-ynyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[3-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]prop-2-ynyl]piperazine-1-carboxylic acid Traditional Name: 4-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]piperazine-1-carboxylic acid Formula: C29H27N5O3 MolecularWeight: 493.55638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCN4CCN(CC4)C(=O)O)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCN4CCN(CC4)C(=O)O)OC5=CC=CC=C5

InChI

InChI=1S/C29H27N5O3/c1-21-18-23(10-12-27(21)37-24-7-3-2-4-8-24)32-28-25-19-22(9-11-26(25)30-20-31-28)6-5-13-33-14-16-34(17-15-33)29(35)36/h2-4,7-12,18-20H,13-17H2,1H3,(H,35,36)(H,30,31,32)