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

Systemtic Name: methyl 1-[4-[4-(1-phenylethylamino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxybutyl]piperidine-2-carboxylate Openeye Name: methyl 1-[4-[4-(1-phenylethylamino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxybutyl]piperidine-2-carboxylate CAS Name: 1-[4-[[6-(1-oxoprop-2-enylamino)-4-(1-phenylethylamino)-7-quinazolinyl]oxy]butyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[4-(1-phenylethylamino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxybutyl]piperidine-2-carboxylate Traditional Name: 1-[4-[6-acrylamido-4-(1-phenylethylamino)quinazolin-7-yl]oxybutyl]pipecolinic acid methyl ester Formula: C30H37N5O4 MolecularWeight: 531.64588

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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)OCCCCN4CCCCC4C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC3=CC(=C(C=C32)NC(=O)C=C)OCCCCN4CCCCC4C(=O)OC

InChI

InChI=1S/C30H37N5O4/c1-4-28(36)34-25-18-23-24(31-20-32-29(23)33-21(2)22-12-6-5-7-13-22)19-27(25)39-17-11-10-16-35-15-9-8-14-26(35)30(37)38-3/h4-7,12-13,18-21,26H,1,8-11,14-17H2,2-3H3,(H,34,36)(H,31,32,33)