O1-tert-butyl O4-methyl 7-(4-ethoxy-3-fluoranyl-phenyl)-2,3-dihydro-1-benzazepine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-methyl 7-(4-ethoxy-3-fluoranyl-phenyl)-2,3-dihydro-1-benzazepine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-methyl 7-(4-ethoxy-3-fluoro-phenyl)-2,3-dihydro-1-benzazepine-1,4-dicarboxylate CAS Name: 7-(4-ethoxy-3-fluorophenyl)-2,3-dihydro-1-benzazepine-1,4-dicarboxylic acid O1-tert-butyl ester O4-methyl ester IUPAC Name: 1-O-tert-butyl 4-O-methyl 7-(4-ethoxy-3-fluorophenyl)-2,3-dihydro-1-benzazepine-1,4-dicarboxylate Traditional Name: 7-(4-ethoxy-3-fluoro-phenyl)-2,3-dihydro-1-benzazepine-1,4-dicarboxylic acid O1-tert-butyl ester O4-methyl ester Formula: C25H28FNO5 MolecularWeight: 441.491923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)C(=O)OC(C)(C)C)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C25H28FNO5/c1-6-31-22-10-8-17(15-20(22)26)16-7-9-21-19(13-16)14-18(23(28)30-5)11-12-27(21)24(29)32-25(2,3)4/h7-10,13-15H,6,11-12H2,1-5H3