ditert-butyl 2-[(1R)-2-(azepan-1-yl)-2-oxidanylidene-1-phenyl-ethyl]propanedioate

Systemtic Name: ditert-butyl 2-[(1R)-2-(azepan-1-yl)-2-oxidanylidene-1-phenyl-ethyl]propanedioate Openeye Name: ditert-butyl 2-[(1R)-2-(azepan-1-yl)-2-oxo-1-phenyl-ethyl]propanedioate CAS Name: 2-[(1R)-2-(1-azepanyl)-2-oxo-1-phenylethyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[(1R)-2-(azepan-1-yl)-2-oxo-1-phenylethyl]propanedioate Traditional Name: 2-[(1R)-2-(azepan-1-yl)-2-keto-1-phenyl-ethyl]malonic acid ditert-butyl ester Formula: C25H37NO5 MolecularWeight: 431.56498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(C1=CC=CC=C1)C(=O)N2CCCCCC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C([C@H](C1=CC=CC=C1)C(=O)N2CCCCCC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H37NO5/c1-24(2,3)30-22(28)20(23(29)31-25(4,5)6)19(18-14-10-9-11-15-18)21(27)26-16-12-7-8-13-17-26/h9-11,14-15,19-20H,7-8,12-13,16-17H2,1-6H3/t19-/m0/s1