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

Systemtic Name: ethyl 3-[4-[[2-[(3-bromophenyl)amino]-6-methoxy-quinazolin-7-yl]oxymethyl]piperidin-1-yl]propanoate Openeye Name: ethyl 3-[4-[[2-(3-bromoanilino)-6-methoxy-quinazolin-7-yl]oxymethyl]-1-piperidyl]propanoate CAS Name: 3-[4-[[2-(3-bromoanilino)-6-methoxy-7-quinazolinyl]oxymethyl]-1-piperidinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[[2-(3-bromoanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidin-1-yl]propanoate Traditional Name: 3-[4-[[2-(3-bromoanilino)-6-methoxy-quinazolin-7-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=NC(=NC3=C2)NC4=CC(=CC=C4)Br)OC

Isomeric SMILES

CCOC(=O)CCN1CCC(CC1)COC2=C(C=C3C=NC(=NC3=C2)NC4=CC(=CC=C4)Br)OC

InChI

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