methyl 7-(4-ethoxy-3-fluoranyl-phenyl)-1-methanoyl-2,3-dihydro-1-benzazepine-4-carboxylate

Systemtic Name: methyl 7-(4-ethoxy-3-fluoranyl-phenyl)-1-methanoyl-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 7-(4-ethoxy-3-fluoro-phenyl)-1-formyl-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-(4-ethoxy-3-fluorophenyl)-1-formyl-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-(4-ethoxy-3-fluorophenyl)-1-formyl-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 7-(4-ethoxy-3-fluoro-phenyl)-1-formyl-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C21H20FNO4 MolecularWeight: 369.386203

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C21H20FNO4/c1-3-27-20-7-5-15(12-18(20)22)14-4-6-19-17(10-14)11-16(21(25)26-2)8-9-23(19)13-24/h4-7,10-13H,3,8-9H2,1-2H3