[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 1-diphenylphosphorylcyclopropanecarboxylate CAS Name: 1-diphenylphosphoryl-1-cyclopropanecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate Traditional Name: 1-diphenylphosphorylcyclopropanecarboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C24H28NO4P MolecularWeight: 425.457181

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2(CC2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2(CC2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H28NO4P/c26-22(25-17-9-1-2-10-18-25)19-29-23(27)24(15-16-24)30(28,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14H,1-2,9-10,15-19H2