[2-(1-adamantyl)-2-oxidanylidene-ethyl] (2R)-2-benzamidopropanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] (2R)-2-benzamidopropanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] (2R)-2-benzamidopropanoate CAS Name: (2R)-2-benzamidopropanoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] (2R)-2-benzamidopropanoate Traditional Name: (2R)-2-benzamidopropionic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H27NO4/c1-14(23-20(25)18-5-3-2-4-6-18)21(26)27-13-19(24)22-10-15-7-16(11-22)9-17(8-15)12-22/h2-6,14-17H,7-13H2,1H3,(H,23,25)/t14-,15?,16?,17?,22?/m1/s1