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

Systemtic Name: methyl 1-[2-[4-(1-phenylethylamino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxyethyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[2-[4-(1-phenylethylamino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxyethyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-[[6-(1-oxoprop-2-enylamino)-4-(1-phenylethylamino)-7-quinazolinyl]oxy]ethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-(1-phenylethylamino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxyethyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-[6-acrylamido-4-(1-phenylethylamino)quinazolin-7-yl]oxyethyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C27H31N5O4 MolecularWeight: 489.56614

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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)OCCN4CCCC4C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC3=CC(=C(C=C32)NC(=O)C=C)OCCN4CCCC4C(=O)OC

InChI

InChI=1S/C27H31N5O4/c1-4-25(33)31-22-15-20-21(28-17-29-26(20)30-18(2)19-9-6-5-7-10-19)16-24(22)36-14-13-32-12-8-11-23(32)27(34)35-3/h4-7,9-10,15-18,23H,1,8,11-14H2,2-3H3,(H,31,33)(H,28,29,30)