1-[2-[2-azanyl-4-(1,3-dihydroisoindol-2-ylcarbonyl)quinazolin-6-yl]phenyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[2-azanyl-4-(1,3-dihydroisoindol-2-ylcarbonyl)quinazolin-6-yl]phenyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[2-amino-4-(isoindoline-2-carbonyl)quinazolin-6-yl]benzoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[2-[2-amino-4-[1,3-dihydroisoindol-2-yl(oxo)methyl]-6-quinazolinyl]phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]benzoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[2-amino-4-(isoindoline-2-carbonyl)quinazolin-6-yl]benzoyl]proline Formula: C29H25N5O4 MolecularWeight: 507.5399

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CC=C2C3=CC4=C(C=C3)N=C(N=C4C(=O)N5CC6=CC=CC=C6C5)N)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=CC=C2C3=CC4=C(C=C3)N=C(N=C4C(=O)N5CC6=CC=CC=C6C5)N)C(=O)O

InChI

InChI=1S/C29H25N5O4/c30-29-31-23-12-11-17(20-8-3-4-9-21(20)26(35)34-13-5-10-24(34)28(37)38)14-22(23)25(32-29)27(36)33-15-18-6-1-2-7-19(18)16-33/h1-4,6-9,11-12,14,24H,5,10,13,15-16H2,(H,37,38)(H2,30,31,32)