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

Systemtic Name: 1-[3-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]prop-2-ynyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]prop-2-ynyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]proline Formula: C29H26N4O3 MolecularWeight: 478.54174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCN4CCCC4C(=O)O)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCN4CCCC4C(=O)O)OC5=CC=CC=C5

InChI

InChI=1S/C29H26N4O3/c1-20-17-22(12-14-27(20)36-23-8-3-2-4-9-23)32-28-24-18-21(11-13-25(24)30-19-31-28)7-5-15-33-16-6-10-26(33)29(34)35/h2-4,8-9,11-14,17-19,26H,6,10,15-16H2,1H3,(H,34,35)(H,30,31,32)