tert-butyl 7-(3,4-dimethoxyphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate

Systemtic Name: tert-butyl 7-(3,4-dimethoxyphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: tert-butyl 7-(3,4-dimethoxyphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: 7-(3,4-dimethoxyphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-(3,4-dimethoxyphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: 7-(3,4-dimethoxyphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylic acid tert-butyl ester Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC=C1C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCC=C1C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C19H27NO4/c1-19(2,3)24-18(21)20-12-8-6-7-9-15(20)14-10-11-16(22-4)17(13-14)23-5/h9-11,13H,6-8,12H2,1-5H3