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

Systemtic Name: tert-butyl 7-(4-methoxyphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: tert-butyl 7-(4-methoxyphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: 7-(4-methoxyphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-(4-methoxyphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: 7-(4-methoxyphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylic acid tert-butyl ester Formula: C18H25NO3 MolecularWeight: 303.396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO3/c1-18(2,3)22-17(20)19-13-7-5-6-8-16(19)14-9-11-15(21-4)12-10-14/h8-12H,5-7,13H2,1-4H3