tert-butyl 2-[2-[4-[(3-bromophenyl)amino]-7-methoxy-quinazolin-6-yl]oxyethyl-[(2S)-2-oxidanylpropyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[2-[4-[(3-bromophenyl)amino]-7-methoxy-quinazolin-6-yl]oxyethyl-[(2S)-2-oxidanylpropyl]amino]ethanoate Openeye Name: tert-butyl 2-[2-[4-(3-bromoanilino)-7-methoxy-quinazolin-6-yl]oxyethyl-[(2S)-2-hydroxypropyl]amino]acetate CAS Name: 2-[2-[[4-(3-bromoanilino)-7-methoxy-6-quinazolinyl]oxy]ethyl-[(2S)-2-hydroxypropyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[4-(3-bromoanilino)-7-methoxyquinazolin-6-yl]oxyethyl-[(2S)-2-hydroxypropyl]amino]acetate Traditional Name: 2-[2-[4-(3-bromoanilino)-7-methoxy-quinazolin-6-yl]oxyethyl-[(2S)-2-hydroxypropyl]amino]acetic acid tert-butyl ester Formula: C26H33BrN4O5 MolecularWeight: 561.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)OC)CC(=O)OC(C)(C)C)O

Isomeric SMILES

C[C@@H](CN(CCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)OC)CC(=O)OC(C)(C)C)O

InChI

InChI=1S/C26H33BrN4O5/c1-17(32)14-31(15-24(33)36-26(2,3)4)9-10-35-23-12-20-21(13-22(23)34-5)28-16-29-25(20)30-19-8-6-7-18(27)11-19/h6-8,11-13,16-17,32H,9-10,14-15H2,1-5H3,(H,28,29,30)/t17-/m0/s1