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

Systemtic Name: 2-pyrrolidin-1-ylethyl 4-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypiperidine-1-carboxylate Openeye Name: 2-pyrrolidin-1-ylethyl 4-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]oxy]-1-piperidinecarboxylic acid 2-(1-pyrrolidinyl)ethyl ester IUPAC Name: 2-pyrrolidin-1-ylethyl 4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxypiperidine-1-carboxylic acid 2-pyrrolidinoethyl ester Formula: C27H31ClFN5O4 MolecularWeight: 544.017543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OC4CCN(CC4)C(=O)OCCN5CCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OC4CCN(CC4)C(=O)OCCN5CCCC5

InChI

InChI=1S/C27H31ClFN5O4/c1-36-24-16-23-20(26(31-17-30-23)32-18-4-5-22(29)21(28)14-18)15-25(24)38-19-6-10-34(11-7-19)27(35)37-13-12-33-8-2-3-9-33/h4-5,14-17,19H,2-3,6-13H2,1H3,(H,30,31,32)