O1-tert-butyl O3-ethyl 4-[(E)-4-[[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(cyclopropylmethoxy)quinazolin-6-yl]amino]-4-oxidanylidene-but-2-enyl]piperazine-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-ethyl 4-[(E)-4-[[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(cyclopropylmethoxy)quinazolin-6-yl]amino]-4-oxidanylidene-but-2-enyl]piperazine-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-ethyl 4-[(E)-4-[[4-(3-chloro-4-fluoro-anilino)-7-(cyclopropylmethoxy)quinazolin-6-yl]amino]-4-oxo-but-2-enyl]piperazine-1,3-dicarboxylate CAS Name: 4-[(E)-4-[[4-(3-chloro-4-fluoroanilino)-7-(cyclopropylmethoxy)-6-quinazolinyl]amino]-4-oxobut-2-enyl]piperazine-1,3-dicarboxylic acid O1-tert-butyl ester O3-ethyl ester IUPAC Name: 1-O-tert-butyl 3-O-ethyl 4-[(E)-4-[[4-(3-chloro-4-fluoroanilino)-7-(cyclopropylmethoxy)quinazolin-6-yl]amino]-4-oxobut-2-enyl]piperazine-1,3-dicarboxylate Traditional Name: 4-[(E)-4-[[4-(3-chloro-4-fluoro-anilino)-7-(cyclopropylmethoxy)quinazolin-6-yl]amino]-4-keto-but-2-enyl]piperazine-1,3-dicarboxylic acid O1-tert-butyl ester O3-ethyl ester Formula: C34H40ClFN6O6 MolecularWeight: 683.169403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1CC=CC(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OCC5CC5)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1CN(CCN1C/C=C/C(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OCC5CC5)C(=O)OC(C)(C)C

InChI

InChI=1S/C34H40ClFN6O6/c1-5-46-32(44)28-18-42(33(45)48-34(2,3)4)14-13-41(28)12-6-7-30(43)40-27-16-23-26(17-29(27)47-19-21-8-9-21)37-20-38-31(23)39-22-10-11-25(36)24(35)15-22/h6-7,10-11,15-17,20-21,28H,5,8-9,12-14,18-19H2,1-4H3,(H,40,43)(H,37,38,39)/b7-6+