methyl 1-[3-[4-(1-phenylethylamino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypropyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[3-[4-(1-phenylethylamino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypropyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[3-[4-(1-phenylethylamino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypropyl]pyrrolidine-2-carboxylate CAS Name: 1-[3-[[6-(1-oxoprop-2-enylamino)-4-(1-phenylethylamino)-7-quinazolinyl]oxy]propyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[4-(1-phenylethylamino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypropyl]pyrrolidine-2-carboxylate Traditional Name: 1-[3-[6-acrylamido-4-(1-phenylethylamino)quinazolin-7-yl]oxypropyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C28H33N5O4 MolecularWeight: 503.59272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC3=CC(=C(C=C32)NC(=O)C=C)OCCCN4CCCC4C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC3=CC(=C(C=C32)NC(=O)C=C)OCCCN4CCCC4C(=O)OC

InChI

InChI=1S/C28H33N5O4/c1-4-26(34)32-23-16-21-22(29-18-30-27(21)31-19(2)20-10-6-5-7-11-20)17-25(23)37-15-9-14-33-13-8-12-24(33)28(35)36-3/h4-7,10-11,16-19,24H,1,8-9,12-15H2,2-3H3,(H,32,34)(H,29,30,31)