4-phenylbutyl (2R)-3-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3-azabicyclo[2.2.1]heptane-2-carboxylate

Systemtic Name: 4-phenylbutyl (2R)-3-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3-azabicyclo[2.2.1]heptane-2-carboxylate Openeye Name: 4-phenylbutyl (2R)-3-(3,3-dimethyl-2-oxo-pentanoyl)-3-azabicyclo[2.2.1]heptane-2-carboxylate CAS Name: (2R)-3-(3,3-dimethyl-1,2-dioxopentyl)-3-azabicyclo[2.2.1]heptane-2-carboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl (2R)-3-(3,3-dimethyl-2-oxopentanoyl)-3-azabicyclo[2.2.1]heptane-2-carboxylate Traditional Name: (2R)-3-(2-keto-3,3-dimethyl-pentanoyl)-3-azabicyclo[2.2.1]heptane-2-carboxylic acid 4-phenylbutyl ester Formula: C24H33NO4 MolecularWeight: 399.52312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1C2CCC(C2)C1C(=O)OCCCCC3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1[C@H](C2CCC1C2)C(=O)OCCCCC3=CC=CC=C3

InChI

InChI=1S/C24H33NO4/c1-4-24(2,3)21(26)22(27)25-19-14-13-18(16-19)20(25)23(28)29-15-9-8-12-17-10-6-5-7-11-17/h5-7,10-11,18-20H,4,8-9,12-16H2,1-3H3/t18?,19?,20-/m1/s1