ethyl 1-[2-[2-[(3-bromophenyl)amino]-7-methoxy-quinazolin-6-yl]oxyethyl]piperidine-2-carboxylate

Systemtic Name: ethyl 1-[2-[2-[(3-bromophenyl)amino]-7-methoxy-quinazolin-6-yl]oxyethyl]piperidine-2-carboxylate Openeye Name: ethyl 1-[2-[2-(3-bromoanilino)-7-methoxy-quinazolin-6-yl]oxyethyl]piperidine-2-carboxylate CAS Name: 1-[2-[[2-(3-bromoanilino)-7-methoxy-6-quinazolinyl]oxy]ethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[2-(3-bromoanilino)-7-methoxyquinazolin-6-yl]oxyethyl]piperidine-2-carboxylate Traditional Name: 1-[2-[2-(3-bromoanilino)-7-methoxy-quinazolin-6-yl]oxyethyl]pipecolinic acid ethyl ester Formula: C25H29BrN4O4 MolecularWeight: 529.42616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1CCOC2=C(C=C3C(=C2)C=NC(=N3)NC4=CC(=CC=C4)Br)OC

Isomeric SMILES

CCOC(=O)C1CCCCN1CCOC2=C(C=C3C(=C2)C=NC(=N3)NC4=CC(=CC=C4)Br)OC

InChI

InChI=1S/C25H29BrN4O4/c1-3-33-24(31)21-9-4-5-10-30(21)11-12-34-23-13-17-16-27-25(29-20(17)15-22(23)32-2)28-19-8-6-7-18(26)14-19/h6-8,13-16,21H,3-5,9-12H2,1-2H3,(H,27,28,29)