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

Systemtic Name: diethyl 2-[4-[[2-[(3-bromophenyl)amino]-6-methoxy-quinazolin-7-yl]oxymethyl]piperidin-1-yl]butanedioate Openeye Name: diethyl 2-[4-[[2-(3-bromoanilino)-6-methoxy-quinazolin-7-yl]oxymethyl]-1-piperidyl]butanedioate CAS Name: 2-[4-[[2-(3-bromoanilino)-6-methoxy-7-quinazolinyl]oxymethyl]-1-piperidinyl]butanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-[[2-(3-bromoanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidin-1-yl]butanedioate Traditional Name: 2-[4-[[2-(3-bromoanilino)-6-methoxy-quinazolin-7-yl]oxymethyl]piperidino]succinic acid diethyl ester Formula: C29H35BrN4O6 MolecularWeight: 615.5154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(=O)OCC)N1CCC(CC1)COC2=C(C=C3C=NC(=NC3=C2)NC4=CC(=CC=C4)Br)OC

Isomeric SMILES

CCOC(=O)CC(C(=O)OCC)N1CCC(CC1)COC2=C(C=C3C=NC(=NC3=C2)NC4=CC(=CC=C4)Br)OC

InChI

InChI=1S/C29H35BrN4O6/c1-4-38-27(35)16-24(28(36)39-5-2)34-11-9-19(10-12-34)18-40-26-15-23-20(13-25(26)37-3)17-31-29(33-23)32-22-8-6-7-21(30)14-22/h6-8,13-15,17,19,24H,4-5,9-12,16,18H2,1-3H3,(H,31,32,33)