1-[3-[4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-8-yl]prop-2-ynyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-[4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-8-yl]prop-2-ynyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-8-yl]prop-2-ynyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-[4-(3-methoxy-4-phenoxyanilino)-8-quinazolinyl]prop-2-ynyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-[4-(3-methoxy-4-phenoxyanilino)quinazolin-8-yl]prop-2-ynyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-8-yl]prop-2-ynyl]proline Formula: C29H26N4O4 MolecularWeight: 494.54114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC=NC3=C(C=CC=C32)C#CCN4CCCC4C(=O)O)OC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC=NC3=C(C=CC=C32)C#CCN4CCCC4C(=O)O)OC5=CC=CC=C5

InChI

InChI=1S/C29H26N4O4/c1-36-26-18-21(14-15-25(26)37-22-10-3-2-4-11-22)32-28-23-12-5-8-20(27(23)30-19-31-28)9-6-16-33-17-7-13-24(33)29(34)35/h2-5,8,10-12,14-15,18-19,24H,7,13,16-17H2,1H3,(H,34,35)(H,30,31,32)