tert-butyl 4-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]oxypiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[4-(3-ethynylanilino)-7-methoxy-6-quinazolinyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=CC(=C4)C#C)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=CC(=C4)C#C)OC

InChI

InChI=1S/C27H30N4O4/c1-6-18-8-7-9-19(14-18)30-25-21-15-24(23(33-5)16-22(21)28-17-29-25)34-20-10-12-31(13-11-20)26(32)35-27(2,3)4/h1,7-9,14-17,20H,10-13H2,2-5H3,(H,28,29,30)