2-piperidin-1-ylethyl 4-[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypiperidine-1-carboxylate

Systemtic Name: 2-piperidin-1-ylethyl 4-[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypiperidine-1-carboxylate Openeye Name: 2-(1-piperidyl)ethyl 4-[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[4-(3-chloro-2-fluoroanilino)-7-methoxy-6-quinazolinyl]oxy]-1-piperidinecarboxylic acid 2-(1-piperidinyl)ethyl ester IUPAC Name: 2-piperidin-1-ylethyl 4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxypiperidine-1-carboxylic acid 2-piperidinoethyl ester Formula: C28H33ClFN5O4 MolecularWeight: 558.044123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=CC=C3)Cl)F)OC4CCN(CC4)C(=O)OCCN5CCCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=CC=C3)Cl)F)OC4CCN(CC4)C(=O)OCCN5CCCCC5

InChI

InChI=1S/C28H33ClFN5O4/c1-37-24-17-23-20(27(32-18-31-23)33-22-7-5-6-21(29)26(22)30)16-25(24)39-19-8-12-35(13-9-19)28(36)38-15-14-34-10-3-2-4-11-34/h5-7,16-19H,2-4,8-15H2,1H3,(H,31,32,33)