tert-butyl 7-diphenylphosphoryloxy-2,3,4,5-tetrahydroazepine-1-carboxylate

Systemtic Name: tert-butyl 7-diphenylphosphoryloxy-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: tert-butyl 7-diphenylphosphoryloxy-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: 7-diphenylphosphoryloxy-2,3,4,5-tetrahydroazepine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-diphenylphosphoryloxy-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: 7-diphenylphosphoryloxy-2,3,4,5-tetrahydroazepine-1-carboxylic acid tert-butyl ester Formula: C23H28NO4P MolecularWeight: 413.446481

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC=C1OP(=O)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCC=C1OP(=O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H28NO4P/c1-23(2,3)27-22(25)24-18-12-6-11-17-21(24)28-29(26,19-13-7-4-8-14-19)20-15-9-5-10-16-20/h4-5,7-10,13-17H,6,11-12,18H2,1-3H3