ethyl 4-[4-[[2-[(3-bromophenyl)amino]-7-methoxy-quinazolin-6-yl]oxymethyl]piperidin-1-yl]butanoate

Systemtic Name: ethyl 4-[4-[[2-[(3-bromophenyl)amino]-7-methoxy-quinazolin-6-yl]oxymethyl]piperidin-1-yl]butanoate Openeye Name: ethyl 4-[4-[[2-(3-bromoanilino)-7-methoxy-quinazolin-6-yl]oxymethyl]-1-piperidyl]butanoate CAS Name: 4-[4-[[2-(3-bromoanilino)-7-methoxy-6-quinazolinyl]oxymethyl]-1-piperidinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[[2-(3-bromoanilino)-7-methoxyquinazolin-6-yl]oxymethyl]piperidin-1-yl]butanoate Traditional Name: 4-[4-[[2-(3-bromoanilino)-7-methoxy-quinazolin-6-yl]oxymethyl]piperidino]butyric acid ethyl ester Formula: C27H33BrN4O4 MolecularWeight: 557.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1CCC(CC1)COC2=C(C=C3C(=C2)C=NC(=N3)NC4=CC(=CC=C4)Br)OC

Isomeric SMILES

CCOC(=O)CCCN1CCC(CC1)COC2=C(C=C3C(=C2)C=NC(=N3)NC4=CC(=CC=C4)Br)OC

InChI

InChI=1S/C27H33BrN4O4/c1-3-35-26(33)8-5-11-32-12-9-19(10-13-32)18-36-25-14-20-17-29-27(31-23(20)16-24(25)34-2)30-22-7-4-6-21(28)15-22/h4,6-7,14-17,19H,3,5,8-13,18H2,1-2H3,(H,29,30,31)