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

Systemtic Name: ethyl 3-[4-[[2-[(3-bromophenyl)amino]-7-methoxy-quinazolin-6-yl]oxymethyl]piperidin-1-yl]propanoate Openeye Name: ethyl 3-[4-[[2-(3-bromoanilino)-7-methoxy-quinazolin-6-yl]oxymethyl]-1-piperidyl]propanoate CAS Name: 3-[4-[[2-(3-bromoanilino)-7-methoxy-6-quinazolinyl]oxymethyl]-1-piperidinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[[2-(3-bromoanilino)-7-methoxyquinazolin-6-yl]oxymethyl]piperidin-1-yl]propanoate Traditional Name: 3-[4-[[2-(3-bromoanilino)-7-methoxy-quinazolin-6-yl]oxymethyl]piperidino]propionic acid ethyl ester Formula: C26H31BrN4O4 MolecularWeight: 543.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CCC(CC1)COC2=C(C=C3C(=C2)C=NC(=N3)NC4=CC(=CC=C4)Br)OC

Isomeric SMILES

CCOC(=O)CCN1CCC(CC1)COC2=C(C=C3C(=C2)C=NC(=N3)NC4=CC(=CC=C4)Br)OC

InChI

InChI=1S/C26H31BrN4O4/c1-3-34-25(32)9-12-31-10-7-18(8-11-31)17-35-24-13-19-16-28-26(30-22(19)15-23(24)33-2)29-21-6-4-5-20(27)14-21/h4-6,13-16,18H,3,7-12,17H2,1-2H3,(H,28,29,30)